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Home Other Building Blocks 4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid

4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid

CAS No.:
15898-26-7
Catalog Number:
AG001R2Q
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$317
- +
10g
97%
In Stock USA
United States
$550
- +
25g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG001R2Q
Chemical Name:
4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid
CAS Number:
15898-26-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD00453921
IUPAC Name:
4-(2,5-dimethylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChI Key:
WNZAIUIEXCYTCY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1c(C)ccc1C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. Journal of medicinal chemistry 20081225
Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors. Bioorganic & medicinal chemistry 20080315
Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach. Chembiochem : a European journal of chemical biology 20051001
Properties