N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

Base Information

• Chemical Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
• CAS No.: 313553-47-8
• Molecular Formula: C18H16N2OS
• Molecular Weight: 344.85800
• Wikipedia: INH1
• Wikidata: Q18350699
• ChEMBL ID: CHEMBL471411
• Mol file: 313553-47-8.mol

Synonyms:factor XIIa inhibitor;INH(1);INH1

Chemical Property of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

Chemical Property:

• PSA: 73.72000
• Density: 1.239±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 5.86520
• Storage Temp.: Desiccate at +4°C
• Solubility.: ≥30.8 mg/mL in DMSO; insoluble in H2O; ≥12 mg/mL in EtOH
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.09833431
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

99.3% ^*data from raw suppliers

INH1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C
• Uses: N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamide is a small molecule that targets the Hec1/Nek2 pathway and was found to effectively inhibit the proliferation of multiple human breast cancer cell lines in culture and in animal. N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamide is a small molecule that targets the Hec1/Nek2 pathway and was found to effectively inhibit the proliferation of multiple human breast cancer cell lines in culture and in animal.