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

CAS: 337350-75-1 Cat. No.: W423459 분자식: C₁₇H₁₈N₄OS 분자량: 326.42 PubChem CID: 767980

등급 & 순도 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

inflammatory antimicrobial agents

사양

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

3.086

HBD 수

2

회전 가능한 결합

3

이름과 식별자

정식 스마일

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)

이성체 SMILES

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

PubChem CID

767980

분자량

326.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Thienopyrimidines

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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10