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170569-99-0
Catalog No.:AA00AQY0

170569-99-0 | Celecoxib 2-Methyl Analog

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Purity
Availability
Price(USD)
Quantity
  
10mg
2 weeks  
$134.00   $94.00
- +
100mg
> 95%
2 weeks  
$999.00   $699.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00AQY0
Chemical Name:
Celecoxib 2-Methyl Analog
CAS Number:
170569-99-0
Molecular Formula:
C17H14F3N3O2S
Molecular Weight:
381.3722
SMILES:
Cc1ccccc1c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
Properties
Computed Properties
 
Complexity:
585  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.4  

Literature

Title: Isolation, synthesis and characterization of impurities in celecoxib, a COX-2 inhibitor.

Journal: Journal of pharmaceutical and biomedical analysis 20040629

Title: Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry 20010927

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SDS
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Tags:170569-99-0 Molecular Formula|170569-99-0 MDL|170569-99-0 SMILES|170569-99-0 Celecoxib 2-Methyl Analog