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100957-85-5,MFCD02090479
Catalog No.:AA00037Z

100957-85-5 | 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$99.00   $69.00
- +
5g
in stock  
$361.00   $253.00
- +
10g
in stock  
$578.00   $405.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00037Z
Chemical Name:
1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
CAS Number:
100957-85-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD02090479
SMILES:
OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.4  

Literature

Title: Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403.

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Tags:100957-85-5 Molecular Formula|100957-85-5 MDL|100957-85-5 SMILES|100957-85-5 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid