N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine

N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine

CAS: 1097917-15-1

Formula: C29H40N8O3S

SMILES: COC1=CC(=CC=C1NC1=NC(NC2=CC=CC=C2S(=O)(=O)C(C)C)=NC=N1)N1CCC(CC1)N1CCN(C)CC1

IUPAC: N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]-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)

Composition: C (59.98%), H (6.94%), N (19.29%), O (8.26%), S (5.52%)

Molar Mass: 580.75

Atom Count: 81

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	580.294408354
Formal Charge	0
FSP3	0.48
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
InChIKey	MGGBYMDAPCCKCT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	164.78
Topological Polar Surface Area	115.82
Polarizability	62.45
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1097917-15-1		Quote Only

Selleck Chemicals

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1097917-15-1		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1097917-15-1		$393.30-$1,404.96$393.30$393.30$901.31$901.31$1,404.96

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1097917-15-1		$37.46-$250.72$37.46$71.85$94.02$131.48$151.35$250.72