sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Bay 87-2243

Bay 87-2243

CAS No.:
1227158-85-1
Catalog Number:
AG009C99
Molecular Formula:
C26H26F3N7O2
Molecular Weight:
525.5255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$215
- +
10mg
99%
1 week
United States
$257
- +
50mg
99%
1 week
United States
$923
- +
100mg
99%
1 week
United States
$1657
- +
Product Description
Catalog Number:
AG009C99
Chemical Name:
Bay 87-2243
CAS Number:
1227158-85-1
Molecular Formula:
C26H26F3N7O2
Molecular Weight:
525.5255
MDL Number:
MFCD28143915
IUPAC Name:
5-[1-[[2-(4-cyclopropylpiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3
InChI Key:
CDJNNOJINJAXPV-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
774  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.21g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.536g/mol
Monoisotopic Mass:
525.21g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
BAY 87-2243, a highly potent and selective inhibitor of hypoxia-induced gene activation has antitumor activities by inhibition of mitochondrial complex I. Cancer medicine 20131001
Properties