Research chemical

NS 11021

CAS Number: 956014-19-0

Product details

Identity & specification

Molecular formula: C16H9BrF6N6S
Molecular weight: 511.2 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

24825677

Exact Mass

509.9697

InChIKey

MDKAFDIKYQMOMF-UHFFFAOYSA-N

IUPAC Name

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea

SMILES String

FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nn[nH]n2)cc(C(F)(F)F)c1

Physical Properties

No physical property values available.

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XLogP

4.8

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

Computed Structure Descriptors

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Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

78.52 Å²

Computed LogP

5.48

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

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

NS 11021 (CAS 956014-19-0) is listed in the Advanced Chemicals portfolio, with molecular formula C16H9BrF6N6S and molecular weight 511. 20 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Danger; hazard codes: H301, H413; For research use only.

Applications & Classification

Organic Building Blocks Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: Calcium-activated potassium channel subunit alpha-1 (Homo sapiens) — 4 assays; Protein deacetylase HDAC6 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Calcium-activated potassium channel subunit alpha-1

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 6.4

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

Reactivity and stability.
Carbon monoxide, carbon dioxide, hydrogen bromide, hydrogen fluoride, nitrogen oxides, sulfur oxides.

Disposal

The product, remaining and non-recyclable solutions should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

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Fire Fighting

Wear self-contained breathing apparatus if necessary.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel.

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

1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thioureaThiourea, N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1-(3,5-Bis-trifluoromethyl-phenyl)-3-[4-bromo-2-(1H-tetrazol-5-yl)-phenyl]-thioureaN'-[3,5-Bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl-phenyl]thioureaC16H9BrF6N6S

Show all synonyms

3-[3,5-bis(trifluoromethyl)phenyl]-1-[4-bromo-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]thioureaN'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-thioureaNS 11021?(N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2h-tetrazol-5-yl)phenyl]-thiourea)N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[4-BROMO-2-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]THIOUREA

External Identifiers

EC NUMBER: 804-729-2DSSTOX SUBSTANCE ID: DTXSID401356892CHEMBL ID: CHEMBL4303589ns11021

Literature & Patent References

DOI 10.1021/acs.jmedchem.4c02008Discovery of Diphenyl Ether Derivatives as Novel BKCa Channel Activators: Structure-Activity Relationship, Cryo-EM Complex Structures, and In Vivo Animal Studies.PMID 39947888Discovery of Diphenyl Ether Derivatives as Novel BKCa Channel Activators: Structure-Activity Relationship, Cryo-EM Complex Structures, and In Vivo Animal Studies.DOI 10.1021/acsmedchemlett.2c00070Novel Thioxothiazolo[3,4-a]quinazolin-5(4H)-one Derivatives as BKCa Channel Activators for Urinary Incontinence.PMID 35859863Novel Thioxothiazolo[3,4-a]quinazolin-5(4H)-one Derivatives as BKCa Channel Activators for Urinary Incontinence.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen DOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H301, H413

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P301+P310

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

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.

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

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 956014-19-0 in stock?

NS 11021 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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The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 956014-19-0?

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