WAY-607654 - 10mM in DMSO , CAS No.356080-86-9

CAS: 356080-86-9 Cat. No.: W423600 Formule: C₂₃H₂₀N₂O₃ Poids moléculaire: 372.42 PubChem CID: 2930391

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

useful for the treatment of degenerative diseases

Specifications

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

2.594

Liaison rotative

6

Noms et identifiants

Pubchem Sid

528768166

Sourires canoniques

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CN=CC=C4)O

IUPAC Name

3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1-(2-phenylethyl)indol-2-one

InChIKey

PKVCMYPBKGTNBM-UHFFFAOYSA-N

INCHI

1S/C23H20N2O3/c26-21(18-9-6-13-24-16-18)15-23(28)19-10-4-5-11-20(19)25(22(23)27)14-12-17-7-2-1-3-8-17/h1-11,13,16,28H,12,14-15H2

Isomères SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CN=CC=C4)O

PubChem CID

2930391

Poids moléculaire

372.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Aryl alkyl ketones Pyridines and derivatives Beta-hydroxy ketones Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole 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: 372.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 372.147 Da
• Monoisotopic Mass: 372.147 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1