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Ly2940680

CAS No.:
1258861-20-9
Catalog Number:
AG000OX0
Molecular Formula:
C26H24F4N6O
Molecular Weight:
512.5020
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$123
- +
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$300
- +
50mg
99%
1 week
United States
$737
- +
100mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG000OX0
Chemical Name:
Ly2940680
CAS Number:
1258861-20-9
Molecular Formula:
C26H24F4N6O
Molecular Weight:
512.5020
MDL Number:
MFCD21609264
IUPAC Name:
4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChI Key:
SZBGQDXLNMELTB-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C
UNII:
QY8BWX1LJ5
Properties
Complexity:
794  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.195g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.513g/mol
Monoisotopic Mass:
512.195g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Properties