MolGraphRequest Quote

Research chemical

Meclinertant

CAS Number: 113158-35-3

Chemical structure
Meclinertant molecular structure, CAS 113158-35-3

Product details

Identity & specification

Molecular formula
C32H31ClN4O5
Molecular weight
587.1 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

119192

Exact Mass

586.198298

InChIKey

DYLJVOXRWLXDIG-UHFFFAOYSA-N

IUPAC Name

2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid

SMILES String

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

Physical Properties

No physical property values available.

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

42

H-bond acceptors

9

H-bond donors

2

Rotatable bonds

7

Ring count

8

Aromatic rings

4

Topological polar surface area

115.57 Ų

Computed LogP

5.77

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

Meclinertant (CAS 113158-35-3) is maintained as a commercial cas reference with formula C32H31ClN4O5, molecular weight 587. 10 g/mol, PubChem CID 119192.

Sourcing context

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

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch 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: Neurotensin receptor type 1 (Homo sapiens) — 12 assays; Neurotensin receptor type 1 (Rattus norvegicus) — 3 assays; Neurotensin receptor type 2 (Rattus norvegicus) — 3 assays; Adhesion G-protein coupled receptor F1 (Homo sapiens) — 3 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Neurotensin receptor type 1

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 5 documents · best pChEMBL 9

Experimental evidence source: ChEMBL

Neurotensin receptor type 1

Rattus norvegicus · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 8.59

Experimental evidence source: ChEMBL

Neurotensin receptor type 2

Rattus norvegicus · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 7.21

Experimental evidence source: ChEMBL

Adhesion G-protein coupled receptor F1

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

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

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

Catalog navigation

Related Catalog Entries

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

Structure similarity(3R)-N-((1R)-1-((4-Chlorophenyl)methyl)-2-(4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl)-2-oxoethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamideView related compound →Structure similarity4-(N-benzyl-N-methylsulfamoyl)-N-(2-(dimethylamino)ethyl)-N-(4-ethoxybenzo[d]thiazol-2-yl)benzamide hydrochlorideView related compound →Structure similarity3-[5-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]propanamideView related compound →Structure similarityGsk-923295aView related compound →Structure similarity3-{3-oxo-5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamideView related compound →

Procurement questions

What are the key identifiers for Meclinertant (CAS 113158-35-3)?

Meclinertant is identified by CAS 113158-35-3, with molecular formula C32H31ClN4O5, molecular weight 587.1, InChIKey DYLJVOXRWLXDIG-UHFFFAOYSA-N.

Does CAS 113158-35-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Neurotensin receptor type 1, Neurotensin receptor type 1, Neurotensin receptor type 2, Adhesion G-protein coupled receptor F1, Alpha-2A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 113158-35-3?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Meclinertant?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 113158-35-3 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.