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721415-89-0,MFCD03949057
Catalog No.:AA019HM5

721415-89-0 | 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$152.00   $107.00
- +
100mg
95%
3 weeks  
$206.00   $144.00
- +
250mg
95%
3 weeks  
$265.00   $185.00
- +
500mg
95%
3 weeks  
$447.00   $313.00
- +
1g
95%
3 weeks  
$618.00   $433.00
- +
2.5g
95%
3 weeks  
$1,154.00   $808.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019HM5
Chemical Name:
3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CAS Number:
721415-89-0
Molecular Formula:
C14H9F3N2O2S
Molecular Weight:
326.2937
MDL Number:
MFCD03949057
SMILES:
OC(=O)c1cc2c(s1)n(nc2C)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
448  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:721415-89-0 Molecular Formula|721415-89-0 MDL|721415-89-0 SMILES|721415-89-0 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
Catalog No.: AA019HM5
721415-89-0,MFCD03949057
721415-89-0 | 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$152.00 $107.00
Pack Size： 100mg
Purity： 95%
3 weeks
$206.00 $144.00
Pack Size： 250mg
Purity： 95%
3 weeks
$265.00 $185.00
Pack Size： 500mg
Purity： 95%
3 weeks
$447.00 $313.00
Pack Size： 1g
Purity： 95%
3 weeks
$618.00 $433.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$1,154.00 $808.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019HM5
Chemical Name: 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CAS Number: 721415-89-0
Molecular Formula: C14H9F3N2O2S
Molecular Weight: 326.2937
MDL Number: MFCD03949057
SMILES: OC(=O)c1cc2c(s1)n(nc2C)c1cccc(c1)C(F)(F)F
Properties
Complexity: 448  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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