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1000279-69-5,MFCD16495814
Catalog No.:AA00008Z
Benzenesulfonamide, 4-[5-(4-chlorophenyl)-2-methyl-3-(1-oxopropyl)-1H-pyrrol-1-yl]- | 1000279-69-5
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10mg
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$248.00
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50mg
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$930.00
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100mg
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$1,603.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00008Z
Chemical Name:
Benzenesulfonamide, 4-[5-(4-chlorophenyl)-2-methyl-3-(1-oxopropyl)-1H-pyrrol-1-yl]-
CAS Number:
1000279-69-5
Molecular Formula:
C20H19ClN2O3S
Molecular Weight:
402.8945
MDL Number:
MFCD16495814
IUPAC Name:
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
InChI Key:
ABACVOXFUHDKNZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl
UNII:
O6NW23A765
Properties
Computed Properties
 
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.08g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
402.893g/mol
Monoisotopic Mass:
402.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide 
A 867744 
4-(5-(4-Chlorophenyl)-2-methyl-3-propionylpyrrol-1-yl)benzenesulfonamide 
Benzenesulfonamide, 4-(5-(4-chlorophenyl)-2-methyl-3-(1-oxopropyl)-1H-pyrrol-1-yl)- 
4-[5-(4-chlorophenyl)-2-methyl-3-propionylpyrrol-1-yl]benzenesulfonamide 
Benzenesulfonamide, 4-[5-(4-chlorophenyl)-2-methyl-3-(1-oxopropyl)-1H-pyrrol-1-yl]- 
ABACVOXFUHDKNZ-UHFFFAOYSA-N 
A867744 
GTPL3986 
SCHEMBL1459705 
DTXSID20142875 
3414AH 
A-867744 
BDBM50250187 
ZINC40951471 
AKOS016363413 
API0013753 
CS-0271 
NCGC00371047-02 
HY-12149 
W-5639 
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide 
4-(5-(4-Chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)-benzenesulfonamide 
A867744 
4-[5-(4-chloro-phenyl)-2-methyl-3-propionyl-pyrrol-1-yl]-benzenesulfonamide 
4-[5-(4-Chlorophenyl)-2-methyl-3-(1-oxopropyl)-1H-pyrrol-1-yl]benzenesulfonamide 
4-[5-(4-chlorophenyl)-2-methyl-3-propanoyl-1H-pyrrol-1-yl]benzene-1-sulfonamide 
D0DA1E 
C20H19ClN2O3S 
A3138 
A11290 
A-867744 
1000279-69-5 
UNII-O6NW23A765 
A 867744 
CHEMBL490153 
O6NW23A765 
Literature

Title: Alpha3* and alpha 7 nAChR-mediated Ca2+ transient generation in IMR-32 neuroblastoma cells.

Journal: Neurochemistry international 20101001

Title: In vitro pharmacological characterization of a novel selective alpha7 neuronal nicotinic acetylcholine receptor agonist ABT-107.

Journal: The Journal of pharmacology and experimental therapeutics 20100901

Title: Positive allosteric modulation of alpha7 neuronal nicotinic acetylcholine receptors: lack of cytotoxicity in PC12 cells and rat primary cortical neurons.

Journal: British journal of pharmacology 20091201

Title: In vitro pharmacological characterization of a novel allosteric modulator of alpha 7 neuronal acetylcholine receptor, 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744), exhibiting unique pharmacological profile.

Journal: The Journal of pharmacology and experimental therapeutics 20090701

Title: Discovery of 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a novel positive allosteric modulator of the alpha7 nicotinic acetylcholine receptor.

Journal: Journal of medicinal chemistry 20090528

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