Home Halogens Pyrrolo[3,4-d]imidazol-4(1H)-one, 5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-, (6S)-

Pyrrolo[3,4-d]imidazol-4(1H)-one, 5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-, (6S)-

CAS No.:
1448867-41-1
Catalog Number:
AG001KAE
Molecular Formula:
C26H24Cl2N6O4
Molecular Weight:
555.4126
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$154
- +
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$362
- +
50mg
99%
1 week
United States
$960
- +
100mg
99%
1 week
United States
$1585
- +
Product Description
Catalog Number:
AG001KAE
Chemical Name:
Pyrrolo[3,4-d]imidazol-4(1H)-one, 5-(5-chloro-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-5,6-dihydro-1-(1-methylethyl)-, (6S)-
CAS Number:
1448867-41-1
Molecular Formula:
C26H24Cl2N6O4
Molecular Weight:
555.4126
MDL Number:
MFCD30502893
IUPAC Name:
(4S)-5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
InChI:
InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
InChI Key:
AGBSXNCBIWWLHD-FQEVSTJZSA-N
SMILES:
COc1ncc(c(n1)OC)c1nc2c(n1C(C)C)[C@@H](N(C2=O)c1cc(Cl)cn(c1=O)C)c1ccc(cc1)Cl
UNII:
0282IF4JC8
Properties
Complexity:
987  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
554.124g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
555.416g/mol
Monoisotopic Mass:
554.124g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Subunit composition of human blood group MN antigens. Immunochemistry 19750801
Properties