Home Sulfos BenzenesulfonaMide, 3-chloro-2-Methyl-N-[5,6,7,8-tetrahydro-2-[(2-phenylethyl)aMino]-6-(phenylMethyl)pyrido[4,3-d]pyriMidin-4-yl]-

BenzenesulfonaMide, 3-chloro-2-Methyl-N-[5,6,7,8-tetrahydro-2-[(2-phenylethyl)aMino]-6-(phenylMethyl)pyrido[4,3-d]pyriMidin-4-yl]-

CAS No.:
1208123-85-6
Catalog Number:
AG008TLJ
Molecular Formula:
C29H30ClN5O2S
Molecular Weight:
548.0988
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG008TLJ
Chemical Name:
BenzenesulfonaMide, 3-chloro-2-Methyl-N-[5,6,7,8-tetrahydro-2-[(2-phenylethyl)aMino]-6-(phenylMethyl)pyrido[4,3-d]pyriMidin-4-yl]-
CAS Number:
1208123-85-6
Molecular Formula:
C29H30ClN5O2S
Molecular Weight:
548.0988
MDL Number:
MFCD25977086
IUPAC Name:
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
InChI:
InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
InChI Key:
LGUUETDTMQTHML-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C)S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2c1CN(CC2)Cc1ccccc1
Properties
Complexity:
829  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.181g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
548.102g/mol
Monoisotopic Mass:
547.181g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors. Bioorganic & medicinal chemistry letters 20101115
Properties