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

CAS: 356080-86-9 Cat. No.: W423600 분자식: C₂₃H₂₀N₂O₃ 분자량: 372.42 PubChem CID: 2930391

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

useful for the treatment of degenerative diseases

Specifications

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

2.594

회전 가능한 결합

6

이름과 식별자

Pubchem Sid

528768166

정식 스마일

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

이성체 SMILES

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

PubChem CID

2930391

분자량

372.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 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