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26176-21-6,MFCD00297443
Catalog No.:AA002RXS

26176-21-6 | 2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
2 weeks  
$592.00   $415.00
- +
1g
>95%
2 weeks  
$633.00   $443.00
- +
5g
>95%
2 weeks  
$1,143.00   $800.00
- +
10g
>95%
2 weeks  
$1,654.00   $1,158.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002RXS
Chemical Name:
2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Number:
26176-21-6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD00297443
SMILES:
OC(=O)c1c(sc2c1CCCC2)n1cccc1
Properties
Computed Properties
 
Complexity:
304  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Bauer;Heisler;Konigstein[Tetrahedron,1993,vol.49,#30,p.6591-6604]

[1]Bauer;Heisler;Konigstein[Tetrahedron,1993,vol.49,#30,p.6591-6604]

[1]Bauer;Heisler;Konigstein[Tetrahedron,1993,vol.49,#30,p.6591-6604]

26176-21-6   
10H-6,7,8,9-tetrahydro<1>benzothieno<2,3-b>pyrrolizin-10-one 

[1]Bauer;Heisler;Konigstein[Tetrahedron,1993,vol.49,#30,p.6591-6604]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:26176-21-6 Molecular Formula|26176-21-6 MDL|26176-21-6 SMILES|26176-21-6 2-(1H-Pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid