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346440-86-6,MFCD09037551
Catalog No.:AA007D39

346440-86-6 | 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester

Pack Size
Purity
Availability
Price(USD)
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1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$188.00   $131.00
- +
10mg
≥98%
in stock  
$329.00   $230.00
- +
25mg
≥98%
in stock  
$652.00   $456.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA007D39
Chemical Name:
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester
CAS Number:
346440-86-6
Molecular Formula:
C14H15N3O4
Molecular Weight:
289.2866
MDL Number:
MFCD09037551
SMILES:
CCOC(=O)c1c(C)nn(c1C)c1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
398  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Literature

Title: A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design.

Journal: Nature biotechnology 20050201

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SDS
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Tags:346440-86-6 Molecular Formula|346440-86-6 MDL|346440-86-6 SMILES|346440-86-6 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester