Products 2380000-55-3

CAS 2380000-55-3 appears in our catalog under these names: β-NF-JQ1/ 99.45% (existing batch purity), β-NF-JQ1, β-NF-JQ1, 98.05%. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 200mg, 100 mg.

Structural formula: {0} (CAS {1})

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[2-[[4-(1-oxobenzo[f]chromen-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethyl]acetamide (CAS 2380000-55-3) is a chemical compound with the molecular formula C45H42ClN5O6S and a molecular weight of 816.4 g/mol. IUPAC name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[2-[[4-(1-oxobenzo[f]chromen-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethyl]acetamide. InChIKey: OZFKLXDOAZGVSV-BHVANESWSA-N.

Identity
Molecular formulaC45H42ClN5O6S
Molecular weight816.4 g/mol
IUPAC name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[2-[[4-(1-oxobenzo[f]chromen-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethyl]acetamide
InChIKeyOZFKLXDOAZGVSV-BHVANESWSA-N
SMILESCC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC4=CC=C(C=C4)C5=CC(=O)C6=C(O5)C=CC7=CC=CC=C76)C8=CC=C(C=C8)Cl)C

Computed by PubChem (NCBI)