CBiPES

Base Information

• Chemical Name: CBiPES
• CAS No.: 856702-40-4
• Molecular Formula: C21H19N3O2S.HCl
• Molecular Weight: 413.92
• UNII: TQ25KB5NW9
• DSSTox Substance ID: DTXSID70432071
• Wikipedia: CBiPES
• Wikidata: Q5009400
• Pharos Ligand ID: D49W7VLKPGD6
• ChEMBL ID: CHEMBL4303163
• Mol file: 856702-40-4.mol

Synonyms:LY 566332;LY-566332;LY566332;N-(4'-cyanobiphenyl-3-yl)-N-(3-pyridinylmethyl)ethanesulfonamide

Chemical Property of CBiPES

Chemical Property:

• PSA: 82.44000
• LogP: 5.85938
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO: >20mg/mL
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 377.11979803
• Heavy Atom Count: 27
• Complexity: 613

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

CBiPES hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC=CC(=C2)C3=CC=C(C=C3)C#N
• Uses: CBiPES Hydrochloride is a selective positive allosteric modulator of the mGluR-2.