Name: Name:2-(2-Thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one
Brand: AABLOCKS
SKU: AA00EEC5
Rating: 90 (10 reviews)

Catalog No.: AA00EEC5

5871-68-1 | 2-(2-Thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one

Pack Size： 100mg

Purity： 95%

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Technical Information

Catalog Number: AA00EEC5

Chemical Name: 2-(2-Thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one

CAS Number: 5871-68-1

Molecular Formula: C13H11NOS2

Molecular Weight: 261.3625

MDL Number: MFCD01927811

SMILES: O=C1CC(Sc2c(N1)cccc2)c1cccs1

Properties

Complexity: 297

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 17

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Downstream Synthesis Route

3-(2-thienyl)-2-propenoicacid

137-07-5

5871-68-1

[1]Zhang,Peng;Ye,Deyong;Chu,Yong[TetrahedronLetters,2016,vol.57,#33,p.3743-3745]

[2]Krapcho,J.;Turk,C.F.[JournalofMedicinalChemistry,1966,vol.9,p.191-195]

5459-68-7

5871-68-1

5990-22-7

[1]Krapcho,J.;Turk,C.F.[JournalofMedicinalChemistry,1966,vol.9,p.191-195]

5871-68-1

145603-07-2

[1]Levai[ArchivderPharmazie,1992,vol.325,#11,p.721-726]

3-(2-thienyl)acrylicacid

137-07-5

5871-68-1

[1]Lancelot,Jean-Charles;Letois,Bertrand;Saturnino,Carmela;Caprariis,PaoloDe;Robba,Max[OrganicPreparationsandProceduresInternational,1992,vol.24,#2,p.204-208]

[2]Zhang,Peng;Min,Zhihui;Gao,Yang;Bian,Jiang;Lin,Xin;He,Jie;Ye,Deyong;Li,Yilin;Peng,Chao;Cheng,Yunfeng;Chu,Yong[JournalofMedicinalChemistry,2021,vol.64,#11,p.7341-7358]

[3]Zhang,Peng;Hu,Hai-Rong;Huang,Zhao-Hui;Lei,Jia-Yi;Chu,Yong;Ye,De-Yong[BioorganicandMedicinalChemistryLetters,2012,vol.22,#23,p.7232-7236]

[4]Zhang,Peng;Hu,Hai-Rong;Bian,Shi-Hui;Huang,Zhao-Hui;Chu,Yong;Ye,De-Yong[EuropeanJournalofMedicinalChemistry,2013,vol.61,p.95-103]

108-24-7

5871-68-1

5-acetyl-2-thiophen-2-yl-2,3-dihydro-5<i>H</i>-benzo<i>b</i>1,4thiazepin-4-one

[1]Lancelot,Jean-Charles;Letois,Bertrand;Saturnino,Carmela;Caprariis,PaoloDe;Robba,Max[OrganicPreparationsandProceduresInternational,1992,vol.24,#2,p.204-208]

Literature fold

Title: Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3β inhibitors through virtual screening.

Journal: Bioorganic & medicinal chemistry letters20121201

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