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ALK inhibitor 2

CAS No.:
761438-38-4
Catalog Number:
AG00G3NE
Molecular Formula:
C23H28ClN7O3S
Molecular Weight:
518.0315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$483
- +
10mg
99%
1 week
United States
$654
- +
Product Description
Catalog Number:
AG00G3NE
Chemical Name:
ALK inhibitor 2
CAS Number:
761438-38-4
Molecular Formula:
C23H28ClN7O3S
Molecular Weight:
518.0315
MDL Number:
MFCD23380589
IUPAC Name:
2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
InChI:
InChI=1S/C23H28ClN7O3S/c1-25-35(32,33)21-7-5-4-6-19(21)27-22-17(24)15-26-23(29-22)28-18-9-8-16(14-20(18)34-3)31-12-10-30(2)11-13-31/h4-9,14-15,25H,10-13H2,1-3H3,(H2,26,27,28,29)
InChI Key:
NURCYJBMLKNYHB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)NC)Cl)N1CCN(CC1)C
Properties
Complexity:
765  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.166g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
518.033g/mol
Monoisotopic Mass:
517.166g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties