AG008TDJ

1097917-15-1 | N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine

AG008TDJ

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CAS Number	1097917-15-1
Catalog Number	AG008TDJ(AGN-PC-0WAEEG)
Chemical Name	N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name	2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
InChI	InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
InChI Key	MGGBYMDAPCCKCT-UHFFFAOYSA-N
MDL Number	MFCD21609265
Molecular Formula	C29H40N8O3S
Molecular Weight	580.7447
SMILES	O=S(C1=CC=CC=C1NC2=NC=NC(NC3=CC=C(N4CCC(N5CCN(C)CC5)CC4)C=C3OC)=N2)(C(C)C)=O
UNII	HP4L6MXF10
Synonyms	ASP3026, ASP3026, 1097917-15-1, ASP-3026, ASP 3026, N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine, UNII-HP4L6MXF10, HP4L6MXF10, 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine, 4-N-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine, N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-1,3,5-triazine-2,4-diamine, MGGBYMDAPCCKCT-UHFFFAOYSA-N, MLS006011176, GTPL7740, SCHEMBL2827739, CHEMBL3545360, C29H40N8O3S, AOB6601, DTXSID90149038, EX-A140, QCR-144, BCP06436, 2229AH, MFCD21609265, s8054, ZINC68120928, AKOS025142083, CS-0787, DB12729, RL00420, SB19387, NCGC00345791-01, NCGC00345791-09, AC-28466, AS-16959, BC600355, HY-13326, SMR004702945, AB0095023, FT-0755075, A11773, W-5854, J-523409, N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine, D09GEK, cc-325, A3193,

Complexity	904
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	580.294g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	580.752g/mol
Monoisotopic Mass	580.294g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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