Catalog No.:AA002RXU

26176-18-1 | 2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Name: Name:2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Brand: AABLOCKS
SKU: AA002RXU
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500mg

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA002RXU

Chemical Name:

2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS Number:

26176-18-1

Molecular Formula:

C13H12N2S

Molecular Weight:

228.3128

MDL Number:

MFCD00278545

SMILES:

N#Cc1c(sc2c1CCCC2)n1cccc1

Properties

Computed Properties

Complexity:

302

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

3.3

Downstream Synthesis Route

696-59-3

4651-91-6

26176-18-1

[1]Abdelhameid,MohammedK.[ChemicalandPharmaceuticalBulletin,2018,vol.66,#12,p.1181-1195]

108-94-1

26176-18-1

[1]Abdelhameid,MohammedK.[ChemicalandPharmaceuticalBulletin,2018,vol.66,#12,p.1181-1195]

[2]Abdelhameid,MohammedK.;Mohammed,ManalR.[BioorganicChemistry,2019,vol.86,p.609-623]

26176-18-1

3-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzobthiophen-3-yl-5-phenyl-1,2,4-oxadiazole

[1]Abdelhameid,MohammedK.[ChemicalandPharmaceuticalBulletin,2018,vol.66,#12,p.1181-1195]

[2]Abdelhameid,MohammedK.;Mohammed,ManalR.[BioorganicChemistry,2019,vol.86,p.609-623]

26176-18-1

3-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzobthiophen-3-yl-5-(4-chlorophenyl)-1,2,4-oxadiazole

[1]Abdelhameid,MohammedK.[ChemicalandPharmaceuticalBulletin,2018,vol.66,#12,p.1181-1195]

[2]Abdelhameid,MohammedK.;Mohammed,ManalR.[BioorganicChemistry,2019,vol.86,p.609-623]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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