Indole-3-carboxylic Acid - 10mM in DMSO , CAS No.771-50-6

CAS: 771-50-6 Cat. No.: I425900 Molecular Weight: 161.16 Beilstein Registry Number: 129435 EC Number: 212-231-6
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GRADE & PURITY 10mM in DMSO
Synonyms
EN300-13123 | FS-1053 | MFCD00005624 | 3-Indolecarboxylate | CCG-266287 | ICO | 3-Indolylcarboxylate | indole-3-carboxylate | 1H-Indole-3-carboxylic acid | EINECS 212-231-6 | Indole - 3 Carboxylic acid | 3-Indoleformate | F2147-0150 | Indole-3-carboxylic
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
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Price
Qty
1ml
I425900-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Overview

Reactant for preparation of: · Anticancer agents · Derivatives of amino acids and peptides · Serotonin 5-HT4 receptor antagonists · Primary acylureas · Inhibitors of Gli1-mediated transcription in the Hedgehog pathway · Serotonin 5-HT6 antagonists · Very Late Antigen-4 (VLA-4) sntagonists · EphB3 receptor tyrosine kinase inhibitors · Potential Therapeutic Agent for Alzheimer′s Disease · Vinyl ester pseudotripeptide proteasome inhibitors

Specifications

Synonyms
EN300-13123 | FS-1053 | MFCD00005624 | 3-Indolecarboxylate | CCG-266287 | ICO | 3-Indolylcarboxylate | indole-3-carboxylate | 1H-Indole-3-carboxylic acid | EINECS 212-231-6 | Indole - 3 Carboxylic acid | 3-Indoleformate | F2147-0150 | Indole-3-carboxylic
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=CN2)C(=O)O
IUPAC Name1H-indole-3-carboxylic acid
InChIKeyKMAKOBLIOCQGJP-UHFFFAOYSA-N
INCHI1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)C(=O)O
WGK Germany 3
RTECS NK7882892
Molecular Weight 161.16
Beilstein 129435
Reaxy-Rn 129435
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129435&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents Indoles  Pyrrole carboxylic acids  Substituted pyrroles  Benzenoids  Vinylogous amides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors indol-3-yl carboxylic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 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
Melt Point(°C)232-234°C
Molecular Weight161.160 g/mol
XLogP32.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.048 Da
Monoisotopic Mass161.048 Da
Topological Polar Surface Area53.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity193.000
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
Documents & Articles
Solution Calculators
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