3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid - ≥98% , CAS No.87627-28-9

CAS: 87627-28-9 Cat. No.: M668028 Molecular Weight: 350.5
Out of stock
GRADE & PURITY ≥98%
Synonyms
Cgs-12970 | 3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid | 1H-Indole-1-octanoic acid, 3-methyl-2-(3-pyridinyl)- | GDV947F7UO | 1H-Indole-1-octanoic acid,3-methyl-2-(3-pyridinyl)- | Cgs 12970 | 3-Methyl-2-(3-pyridinyl)-1H-indole-1-octanoic acid | UNII-GDV9
Storage
Store at 2-8°C
Shipped In
Wet ice
No options of this product are available.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Cgs-12970 | 3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid | 1H-Indole-1-octanoic acid, 3-methyl-2-(3-pyridinyl)- | GDV947F7UO | 1H-Indole-1-octanoic acid, 3-methyl-2-(3-pyridinyl)- | Cgs 12970 | 3-Methyl-2-(3-pyridinyl)-1H-indole-1-octanoic acid | UNII-GDV9
Specifications & Purity
≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Product Properties
ALogP4.5
Names and Identifiers
Canonical SmilesCC1=C(N(C2=CC=CC=C12)CCCCCCCC(=O)O)C3=CN=CC=C3
IUPAC Name8-(3-methyl-2-pyridin-3-ylindol-1-yl)octanoic acid
InChIKeyCVVKIXNPXDBREE-UHFFFAOYSA-N
INCHI1S/C22H26N2O2/c1-17-19-11-6-7-12-20(19)24(22(17)18-10-9-14-23-16-18)15-8-4-2-3-5-13-21(25)26/h6-7,9-12,14,16H,2-5,8,13,15H2,1H3,(H,25,26)
Isomeric SMILES CC1=C(N(C2=CC=CC=C12)CCCCCCCC(=O)O)C3=CN=CC=C3
Molecular Weight 350.5
Reaxy-Rn 7047343
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7047343&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolyl carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolyl carboxylic acids and derivatives
Alternative Parents 3-methylindoles  N-alkylindoles  Medium-chain fatty acids  Amino fatty acids  Heterocyclic fatty acids  Substituted pyrroles  Pyridines and derivatives  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolyl carboxylic acid derivative - 3-alkylindole - 3-methylindole - N-alkylindole - Indole - Medium-chain fatty acid - Heterocyclic fatty acid - Amino fatty acid - Pyridine - Substituted pyrrole - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Pyrrole - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TBXAS1 Tchem Thromboxane-A synthase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACE Tclin Angiotensin-converting enzyme (1423 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight350.500 g/mol
XLogP34.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass350.199 Da
Monoisotopic Mass350.199 Da
Topological Polar Surface Area55.100 Ų
Heavy Atom Count26
Formal Charge0
Complexity442.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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