WAY-323877 - ≥95% , CAS No.167483-31-0

CAS: 167483-31-0 Cat. No.: W416978 Formula: C₁₅H₁₄N₂S Peso molecolare: 254.35 PubChem CID: 752037

GRADE & PURITY ≥95%

Synonyms

2-phenethylsulfanyl-1H-benzimidazole | 2-(phenethylthio)-1H-benzo[d]imidazole | 2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole | 2-(2-phenylethylsulfanyl)-1H-benzimidazole

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Androgen Receptor modulator; antitubercular activity; antimycobacterial activity;

Specifications

Sinonimi

2-phenethylsulfanyl-1H-benzimidazole | 2-(phenethylthio)-1H-benzo[d]imidazole | 2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole | 2-(2-phenylethylsulfanyl)-1H-benzimidazole

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥95%

Proprietà del prodotto

ALogP

4.333

Conteggio HBD

1

Legame rotabile

4

Nomi e identificatori

Pubchem Sid

504760101

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760101

Sorrisi canonici

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2

IUPAC Name

2-(2-phenylethylsulfanyl)-1H-benzimidazole

InChIKey

YXSILMYONHYNFY-UHFFFAOYSA-N

INCHI

1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)

Isomeri SMILES

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2

PubChem CID

752037

Peso molecolare

254.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Alkylarylthioethers Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 254.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 254.088 Da
• Monoisotopic Mass: 254.088 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 253.000
• 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