sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks PF-5274857

PF-5274857

CAS No.:
1373615-35-0
Catalog Number:
AG009CE6
Molecular Formula:
C20H25ClN4O3S
Molecular Weight:
436.9555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG009CE6
Chemical Name:
PF-5274857
CAS Number:
1373615-35-0
Molecular Formula:
C20H25ClN4O3S
Molecular Weight:
436.9555
MDL Number:
MFCD22420827
IUPAC Name:
1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
InChI:
InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
InChI Key:
BBVNTTZIOTWDSV-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(c1)C)c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(=O)(=O)C
Properties
Complexity:
663  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.134g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.955g/mol
Monoisotopic Mass:
436.134g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Effective targeting of Hedgehog signaling in a medulloblastoma model with PF-5274857, a potent and selective Smoothened antagonist that penetrates the blood-brain barrier. Molecular cancer therapeutics 20120101
Properties