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6638-45-5 | Benzothiazole, 2-(3,4-dimethoxyphenyl)-
CAS No: 6638-45-5 Catalog No: AG00FFDN MDL No:MFCD00993892
Product Description
Catalog Number:
AG00FFDN
Chemical Name:
Benzothiazole, 2-(3,4-dimethoxyphenyl)-
CAS Number:
6638-45-5
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
MDL Number:
MFCD00993892
IUPAC Name:
2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H13NO2S/c1-17-12-8-7-10(9-13(12)18-2)15-16-11-5-3-4-6-14(11)19-15/h3-9H,1-2H3
InChI Key:
JMSHSEQKUVZWNO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc2c(s1)cccc2
NSC Number:
48229
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. | Bioorganic & medicinal chemistry 20110715 |
| Synthesis and biological activity of hydroxy substituted phenyl-benzo[d]thiazole analogues for antityrosinase activity in B16 cells. | Bioorganic & medicinal chemistry letters 20110415 |
| A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. | Journal of medicinal chemistry 20090312 |
| Antitumor benzothiazoles. 26.(1) 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW 610, NSC 721648), a simple fluorinated 2-arylbenzothiazole, shows potent and selective inhibitory activity against lung, colon, and breast cancer cell lines. | Journal of medicinal chemistry 20060112 |
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