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

CAS: 299405-68-8 Cat. No.: W417489 Formula: C₁₇H₁₃BrN₂OS Peso molecolare: 373.27 PubChem CID: 2305927

QUALITÀ & PUREZZA ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

FabH inhibitors; ecKAS III inhibitors;

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

4.342

Conteggio HBD

1

Legame rotabile

4

Nomi e identificatori

Pubchem Sid

488192084

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192084

Sorrisi canonici

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)

Isomeri SMILES

C1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

PubChem CID

2305927

Peso molecolare

373.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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