4H,5H,6H,7H-Thieno[3,2-c]pyridin-4-one - CAS 68559-60-4
Catalog: |
BB033583 |
Product Name: |
4H,5H,6H,7H-Thieno[3,2-c]pyridin-4-one |
CAS: |
68559-60-4 |
Synonyms: |
6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one; 6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one |
IUPAC Name: | 6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one |
Description: | An impurity of Ticlopidine which is an orally P2 receptor inhibitor against ADP-induced platelet aggregation with IC50 of ~2 μM. |
Molecular Weight: | 153.20 |
Molecular Formula: | C7H7NOS |
Canonical SMILES: | C1CNC(=O)C2=C1SC=C2 |
InChI: | InChI=1S/C7H7NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h2,4H,1,3H2,(H,8,9) |
InChI Key: | SFNZVNVCJWVPDM-UHFFFAOYSA-N |
Purity: | > 95 % |
LogP: | 1.04440 |
Publication Number | Title | Priority Date |
WO-2020102243-A2 | In-flow photooxygenation of aminothienopyridinones generates novel ptp4a3 phosphatase inhibitors | 20181112 |
WO-2020102245-A1 | In-flow photooxygenation of aminothienopyridinones generates novel ptp4a3 phosphatase inhibitors | 20181112 |
US-10669252-B2 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | 20160506 |
US-2019152941-A1 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | 20160506 |
AU-2016313541-A1 | Inhibitors of EZH2 | 20150827 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.02483502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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