WAY-352832 - ≥98% , CAS No.299405-68-8

CAS: 299405-68-8 Cat. No.: W417489 분자식: C₁₇H₁₃BrN₂OS 분자량: 373.27 PubChem CID: 2305927

GRADE & PURITY ≥98%

Synonyms

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

FabH inhibitors; ecKAS III inhibitors;

Specifications

동의어

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

제품 특성

• ALogP: 4.342
• HBD 수: 1
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 488192084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192084
• 정식 스마일: C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
• IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• InChIKey: IJLUARLBXWDKER-UHFFFAOYSA-N
• INCHI: 1S/C17H13BrN2OS/c18-14-8-6-13(7-9-14)15-11-22-17(19-15)20-16(21)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
• 이성체 SMILES: C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
• PubChem CID: 2305927
• 분자량: 373.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-arylamides Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 373.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 371.993 Da
• Monoisotopic Mass: 371.993 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 368.000
• 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