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26176-19-2,MFCD00449912
Catalog No.:AA002RXT

26176-19-2 | 4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$72.00   $50.00
- +
5g
95%
in stock  
$334.00   $234.00
- +
10g
95%
in stock  
$520.00   $364.00
- +
25g
95%
in stock  
$1,202.00 $842.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002RXT
Chemical Name:
4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid
CAS Number:
26176-19-2
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD00449912
SMILES:
OC(=O)c1c(C)c(sc1n1cccc1)C
Properties
Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

26176-19-2   
5-(4-Benzyl-piperazin-1-yl)-2,3-dimethyl-pyrrolo1,2-athieno3,2-epyrazine 

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

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

Quotation Request
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SDS
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Tags:26176-19-2 Molecular Formula|26176-19-2 MDL|26176-19-2 SMILES|26176-19-2 4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid
Catalog No.: AA002RXT
26176-19-2,MFCD00449912
26176-19-2 | 4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid
Pack Size： 1g
Purity： 95%
in stock
$72.00 $50.00
Pack Size： 5g
Purity： 95%
in stock
$334.00 $234.00
Pack Size： 10g
Purity： 95%
in stock
$520.00 $364.00
Pack Size： 25g
Purity： 95%
in stock
$1,202.00 $842.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA002RXT
Chemical Name: 4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid
CAS Number: 26176-19-2
Molecular Formula: C11H11NO2S
Molecular Weight: 221.2755
MDL Number: MFCD00449912
SMILES: OC(=O)c1c(C)c(sc1n1cccc1)C
Properties
Complexity: 253  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
26176-19-2    153628-80-9 

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

26176-14-7    26176-19-2 

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

26176-19-2    153629-53-9 

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

26176-19-2   
5-(4-Benzyl-piperazin-1-yl)-2,3-dimethyl-pyrrolo1,2-athieno3,2-epyrazine 

[1]Rault,Sylvain;Lancelot,Jean-Charles;Prunier,Hervé;Robba,Max;Renard,Pierre;Delagrange,Philippe;Pfeiffer,Bruno;Caignard,Daniel-Henri;Guardiola-Lemaitre,Béatrice;Hamon,Michel[JournalofMedicinalChemistry,1996,vol.39,#10,p.2068-2080]

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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 Cytology20060501

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