WAY-270599 - ≥98% , CAS No.397281-20-8

CAS: 397281-20-8 Cat. No.: W418020 Formula: C₁₇H₁₁ClN₂O₄S Peso molecolare: 374.8 PubChem CID: 1367407

GRADE & PURITY ≥98%

Synonyms

N-(3-chloro-4-hydroxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide

Storage

Room temperature

Panoramica

FGFR1 inhibitor; TNFa inhibitor;

Specifications

Sinonimi

N-(3-chloro-4-hydroxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Proprietà del prodotto

ALogP

2.603

Conteggio HBD

3

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

488191802

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191802

Sorrisi canonici

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)

Isomeri SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)NC4=CC(=C(C=C4)O)Cl

PubChem CID

1367407

Peso molecolare

374.8

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 397281-20-8, the molecular formula is C17H11ClN2O4S, and the molecular weight is 374.8 g/mol. InChIKey FQWAQUPLBBOCSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.