WAY-299899 - 10mM in DMSO , CAS No.337350-75-1

CAS: 337350-75-1 Cat. No.: W423459 Fórmula: C₁₇H₁₈N₄OS Peso molecular: 326.42 PubChem CID: 767980

GRAU & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

inflammatory antimicrobial agents

Especificações

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

3.086

Contagem HBD

2

Ligação rotativa

3

Nomes e identificadores

Sorrisos canónicos

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)NN

IUPAC Name

3-benzyl-2-hydrazinyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

InChIKey

YIOAHVXFPXWMLZ-UHFFFAOYSA-N

INCHI

1S/C17H18N4OS/c18-20-17-19-15-14(12-8-4-5-9-13(12)23-15)16(22)21(17)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,18H2,(H,19,20)

SMILES isoméricas

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)NN

PubChem CID

767980

Peso molecular

326.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Pyrimidones Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrazine derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10