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JW74

CAS No.:
863405-60-1
Catalog Number:
AG00GUB8
Molecular Formula:
C24H20N6O2S
Molecular Weight:
456.5196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$180
- +
10mg
≥98%
1 week
United States
$248
- +
25mg
99%
1 week
United States
$457
- +
50mg
99%
1 week
United States
$723
- +
100mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG00GUB8
Chemical Name:
JW74
CAS Number:
863405-60-1
Molecular Formula:
C24H20N6O2S
Molecular Weight:
456.5196
MDL Number:
MFCD07048962
IUPAC Name:
5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3
InChI Key:
KRIKILRRJCIWNB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(SCc2onc(n2)c2ccc(cc2)C)nnc1c1ccncc1
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.137g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.524g/mol
Monoisotopic Mass:
456.137g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
[1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding. Journal of medicinal chemistry 20120209
Properties