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Home Other Building Blocks APS-2-79

APS-2-79

CAS No.:
2002381-25-9
Catalog Number:
AG00BF76
Molecular Formula:
C23H21N3O3
Molecular Weight:
387.4311
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$154
- +
25mg
99%
1 week
United States
$251
- +
50mg
99%
1 week
United States
$376
- +
100mg
99%
1 week
United States
$612
- +
Product Description
Catalog Number:
AG00BF76
Chemical Name:
APS-2-79
CAS Number:
2002381-25-9
Molecular Formula:
C23H21N3O3
Molecular Weight:
387.4311
MDL Number:
MFCD30489745
IUPAC Name:
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChI Key:
PEKZLFZZBGBOPJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1C)Oc1ccccc1
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.158g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.439g/mol
Monoisotopic Mass:
387.158g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Small molecule stabilization of the KSR inactive state antagonizes oncogenic Ras signalling. Nature 20160901
Properties