N-(5-((5-(4-ACETYLPIPERAZINE-1-CARBONYL)-4-METHOXY-2-METHYLPHENYL)THIO)THIAZOL-2-YL)-4-(((3-METHYLBUTAN-2-YL)AMINO)METHYL)BENZAMIDE

CAS No.
439574-61-5
CCD No.
CCD04335117
Formula
C31 H39 N5 O4 S2
MolWeight
609.812

Basic Information

Product Name: N-(5-((5-(4-ACETYLPIPERAZINE-1-CARBONYL)-4-METHOXY-2-METHYLPHENYL)THIO)THIAZOL-2-YL)-4-(((3-METHYLBUTAN-2-YL)AMINO)METHYL)BENZAMIDE
CAS: 439574-61-5
English Synonyms: ITK INHIBITOR ; BENZAMIDE, N-[5-[[5-[(4-ACETYL-1-PIPERAZINYL)CARBONYL]-4-METHOXY-2-METHYLPHENYL]THIO]-2-THIAZOLYL]-4-[[(1,2-DIMETHYLPROPYL)AMINO]METHYL]- ; N-(5-((5-(4-ACETYLPIPERAZINE-1-CARBONYL)-4-METHOXY-2-METHYLPHENYL)THIO)THIAZOL-2-YL)-4-(((3-METHYLBUTAN-2-YL)AMINO)METHYL)BENZAMIDE
MDL Number.: MFCD18642580
H bond acceptor: 9
H bond donor: 2
Smile: Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
InChi: InChI=1S/C31H39N5O4S2/c1-19(2)21(4)32-17-23-7-9-24(10-8-23)29(38)34-31-33-18-28(42-31)41-27-16-25(26(40-6)15-20(27)3)30(39)36-13-11-35(12-14-36)22(5)37/h7-10,15-16,18-19,21,32H,11-14,17H2,1-6H3,(H,33,34,38)
InChiKey: InChIKey=RRHONYZEMUNMJX-UHFFFAOYSA-N

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