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Mutant EGFR inhibitor

CAS No.:
1421373-62-7
Catalog Number:
AG009CDL
Molecular Formula:
C27H30ClN7O2
Molecular Weight:
520.0258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$321
- +
10mg
99%
1 week
United States
$446
- +
50mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG009CDL
Chemical Name:
Mutant EGFR inhibitor
CAS Number:
1421373-62-7
Molecular Formula:
C27H30ClN7O2
Molecular Weight:
520.0258
MDL Number:
MFCD28167737
IUPAC Name:
N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
InChI:
InChI=1S/C27H30ClN7O2/c1-6-25(36)31-21-13-22(24(37-5)14-23(21)35(4)12-11-34(2)3)32-27-30-16-19(28)26(33-27)18-15-29-20-10-8-7-9-17(18)20/h6-10,13-16,29H,1,11-12H2,2-5H3,(H,31,36)(H,30,32,33)
InChI Key:
SUPQPCQJBYPRPC-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2c[nH]c3c2cccc3)Cl)c(cc1N(CCN(C)C)C)OC
Properties
Complexity:
758  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.215g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
520.034g/mol
Monoisotopic Mass:
519.215g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties