WAY-270599 - 10mM in DMSO , CAS No.397281-20-8

CAS: 397281-20-8 Cat. No.: W423825 Molecular Weight: 374.8 PubChem CID: 1367407

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

FGFR1 inhibitor; TNFa inhibitor;

Specifications

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.

Product Properties

• ALogP: 2.603
• HBD Count: 3
• Rotatable Bond: 3

Names and Identifiers

• Pubchem Sid: 528767743
• Canonical Smiles: C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NC4=CC(=C(C=C4)O)Cl
• IUPAC Name: N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
• InChIKey: FQWAQUPLBBOCSP-UHFFFAOYSA-N
• INCHI: 1S/C17H11ClN2O4S/c18-12-8-9(4-6-14(12)21)20-25(23,24)15-7-5-13-16-10(15)2-1-3-11(16)17(22)19-13/h1-8,20-21H,(H,19,22)
• Isomeric SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NC4=CC(=C(C=C4)O)Cl
• PubChem CID: 1367407
• Molecular Weight: 374.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Sulfanilides Isoindolones Indoles and derivatives O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organopnictogen compounds Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Isoindolone - Sulfanilide - Indole or derivatives - Isoindole or derivatives - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 374.800 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 374.013 Da
• Monoisotopic Mass: 374.013 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 637.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1