WAY-613473 - 10mM in DMSO , CAS No.301357-74-4

CAS: 301357-74-4 Cat. No.: W423109 Formule: C₂₀H₁₆N₄O₃S Poids moléculaire: 392.43104 PubChem CID: 2309588

QUALITÉ & PURETÉ 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

inhibition of HIV-I replication; phosphatidylinositol 3-kinase inhibitors; inhibitors of the HIV-1 Nef/Hck kinase interaction; JAK-2 inhibitors;

Spécifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

4.168

Nombre de HBD

3

Liaison rotative

5

Noms et identifiants

Pubchem Sid

528768186

Sourires canoniques

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)O

IUPAC Name

N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide

InChIKey

BNHZFBKIEIPSHA-UHFFFAOYSA-N

INCHI

1S/C20H16N4O3S/c25-15-8-6-7-14(13-15)21-19-20(23-18-12-5-4-11-17(18)22-19)24-28(26,27)16-9-2-1-3-10-16/h1-13,25H,(H,21,22)(H,23,24)

Isomères SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC=C4)O

PubChem CID

2309588

Poids moléculaire

392.43104

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds m-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyrazines Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Secondary amines Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Quinoxaline - Benzenesulfonyl group - Aminophenol - M-aminophenol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrazine - Phenol - Monocyclic benzene moiety - Pyrazine - Imidolactam - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 392.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 392.094 Da
• Monoisotopic Mass: 392.094 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 605.000
• 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