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313701-78-9,MFCD01874279
Catalog No.:AA007JKS

313701-78-9 | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA007JKS
Chemical Name:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
CAS Number:
313701-78-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD01874279
SMILES:
Cc1ccc(cc1n1c(C)ccc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3  

Literature

Title: Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.

Journal: Chembiochem : a European journal of chemical biology 20051001

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SDS
Tags:313701-78-9 Molecular Formula|313701-78-9 MDL|313701-78-9 SMILES|313701-78-9 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid