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1005201-24-0,MFCD15528930
Catalog No.:AA00025B
1005201-24-0 | 1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-
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Technical Information
Catalog Number:
AA00025B
Chemical Name:
1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-
CAS Number:
1005201-24-0
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
MDL Number:
MFCD15528930
IUPAC Name:
2-methyl-5-[3-(4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
InChI:
InChI=1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3
InChI Key:
RCKYSTKYIVULEK-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)c1ccc2c(c1)c(co2)c1ccc(cc1)S(=O)C
Properties
Computed Properties
 
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
2-methyl-5-(3-(4-(methylsulfinyl)phenyl)-1-benzofuran-5-yl)-1,3,4-oxadiazole 
2-methyl-MPBO 
DTXSID50647722 
HMS3677M19 
AKOS024457837 
1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]- 
NCGC00370958-01 
RT-017588 
J-000155 
1,3,4-Oxadiazole,2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzo[b]furanyl]- 
1,3,4-Oxadiazole,2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]- 
2-{3-[4-(Methanesulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole 
TCS 2002 
2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl]-1,3,4-oxadiazole 
2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole 
B5486 
1005201-24-0 
2-Methyl-5-(3-(4-(methylsulfinyl)phenyl)benzofuran-5-yl)-1,3,4-oxadiazole 
RCKYSTKYIVULEK-UHFFFAOYSA-N 
MMBO 
SCHEMBL3492584 
CHEMBL3601951 
CTK8E7473 
Literature

Title: A novel glycogen synthase kinase-3 inhibitor 2-methyl-5-(3-{4-[(S )-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole decreases tau phosphorylation and ameliorates cognitive deficits in a transgenic model of Alzheimer's disease.

Journal: Journal of neurochemistry 20111201

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