Research chemical

Morphothiadine

CAS Number: 1092970-12-1

Morphothiadine molecular structure, CAS 1092970-12-1 — Chemical structure

Product details

Identity & specification

Molecular formula: C21H22BrFN4O3S
Molecular weight: 509.4 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

25144422

Exact Mass

508.058

InChIKey

SQGRDKSRFFUBBU-UHFFFAOYSA-N

IUPAC Name

ethyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

SMILES String

CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br

Physical Properties

Appearance

Light yellow to yellow powder or crystals

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

31

H-bond acceptors

7

H-bond donors

1

Rotatable bonds

6

Ring count

4

Aromatic rings

2

Topological polar surface area

76.05 Å²

Computed LogP

3.29

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Morphothiadine (CAS 1092970-12-1) is maintained as a cataloged research chemical with formula C21H22BrFN4O3S, molecular weight 509. 40 g/mol, PubChem CID 25144422.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319; for research use only.

Applications & Classification

Package and Price Reference Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability review

Biological target reference

ChEMBL reports experimental activity evidence for: Core antigen (Hepatitis B virus) — 25 assays; Voltage-gated inwardly rectifying potassium channel KCNH2 (Homo sapiens) — 5 assays; Bile acid receptor (Homo sapiens) — 2 assays; Cytochrome P450 1A2 (Homo sapiens) — 2 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Core antigen

Hepatitis B virus · SINGLE PROTEIN · 25 qualifying assays · 2 documents · best pChEMBL 9

Experimental evidence source: ChEMBL

Voltage-gated inwardly rectifying potassium channel KCNH2

Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 3 documents · best pChEMBL 6.07

Experimental evidence source: ChEMBL

Bile acid receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Cytochrome P450 1A2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Cytochrome P450 2C19

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

Morphothiadinethyl 4-(2-bromo-4-fluorophenyl)-6-(morpholinomethyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateMorphothiadine [WHO-DD]5-Pyrimidinecarboxylic acid, 4-(2-bromo-4-fluorophenyl)-1,4-dihydro-6-(4-morpholinylmethyl)-2-(2-thiazolyl)-, ethyl ester, (4R)-ethyl 4-(2-bromo-4-fluoro-phenyl)-6-(morpholinomethyl)-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylate

Show all synonyms

1092970-12-1 (racemic)GLS 4(Morphothiadin)?C21H22BrFN4O3Sethyl 4-[2-bromo-4-fluorophenyl]-6-[morpholino-methyl]-2-[2-thiazolyl]-1,4-dihydro-pyrimidine-5-carboxylate

External Identifiers

CHEMBL ID: CHEMBL3742114UNII: R8MEF6D6PSGLS-4

Literature & Patent References

DOI 10.1016/j.bmcl.2024.130054Identification of peptide-based hepatitis B virus capsid inhibitors based on the viral core protein.PMID 39643018Identification of peptide-based hepatitis B virus capsid inhibitors based on the viral core protein.DOI 10.1016/j.ejmech.2024.116854Novel mechanistic insights - A brand new Era for anti-HBV drugs.PMID 39276582Novel mechanistic insights - A brand new Era for anti-HBV drugs.DOI 10.1039/d3md00461aDiscovery of carboxyl-containing heteroaryldihydropyrimidine derivatives as novel HBV capsid assembly modulators with significantly improved metabolic stability.PMID 37974964Discovery of carboxyl-containing heteroaryldihydropyrimidine derivatives as novel HBV capsid assembly modulators with significantly improved metabolic stability.DOI 10.1039/d1md00318fThe identification of highly efficacious functionalised tetrahydrocyclopenta[<i>c</i>]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.PMID 35434625The identification of highly efficacious functionalised tetrahydrocyclopenta[<i>c</i>]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity3-(4-fluorophenyl)-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamideView related compound →Structure similarity3-(4-ethoxyphenyl)-6-methyl-2-thioxo-5-((3-(trifluoromethyl)benzyl)thio)-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-oneView related compound →Structure similarity3-chloro-N-(4-((4-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)-1H-imidazol-1-yl)methyl)phenyl)benzenesulfonamideView related compound →Structure similarity2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamideView related compound →Structure similarity2-((2-chloro-6-fluorobenzyl)thio)-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamideView related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

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Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 1092970-12-1 in stock?

Morphothiadine is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

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Can MolGraph provide COA or SDS for CAS 1092970-12-1?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.