Home Sulfos N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide

N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide

CAS No.:
1191911-27-9
Catalog Number:
AG008TLN
Molecular Formula:
C22H25ClN6O4S
Molecular Weight:
504.9897
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$203
- +
10mg
99%
1 week
United States
$279
- +
25mg
≥98%
1 week
United States
$665
- +
50mg
99%
1 week
United States
$835
- +
Product Description
Catalog Number:
AG008TLN
Chemical Name:
N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide
CAS Number:
1191911-27-9
Molecular Formula:
C22H25ClN6O4S
Molecular Weight:
504.9897
MDL Number:
MFCD26401527
IUPAC Name:
N-[2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
InChI:
InChI=1S/C22H25ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)
InChI Key:
CLGWUCNXOBLWFM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1NS(=O)(=O)C)Cl)N1CCOCC1
Properties
Complexity:
737  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.135g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
504.99g/mol
Monoisotopic Mass:
504.135g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties