CID 16376051

Base Information

• Chemical Name: CID 16376051
• CAS No.: 924377-85-5
• Molecular Formula: C₂₂H₂₅N₃O₂S
• Molecular Weight: 395.525
• ChEMBL ID: CHEMBL4576320
• DSSTox Substance ID: DTXSID701336582
• Nikkaji Number: J3.648.055F
• Pharos Ligand ID: Y5CKRVG7ZKTN
• Wikidata: Q101175108
• Wikipedia: GSK1702934A
• Mol file: 924377-85-5.mol

Synonyms:GSK1702934A;924377-85-5;GSK 1702934A;GSK-1702934A;1-(1-(5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl)-1H-benzo[d]- imidazole-2(3H)-one;3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;CHEMBL4576320;SCHEMBL21045924;GTPL10278;DTXSID701336582;AKOS033219750;CCG-318706;1,3-Dihydro-1-[1-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)carbonyl]-4-piperidinyl]-2H-benzimidazol-2-one;MS-26662;HY-111098;CS-0034214;G13531;Z126939448

Chemical Property of CID 16376051

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 395.16674822
• Heavy Atom Count: 28
• Complexity: 607

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(CC1)SC(=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Technology Process of CID 16376051

There total 1 articles about CID 16376051 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (40133-08-2) + 4-(2-keto-1-benzimidazolinyl)piperidine (20662-53-7) → GSK1702934A (924377-85-5)

Guidance literature:

With pyridine; 1,3,5-trichloro-2,4,6-triazine; In acetonitrile; at 140 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1055/s-0036-1589472

upstream raw materials:

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid

4-(2-keto-1-benzimidazolinyl)piperidine

Refernces