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1332331-08-4,MFCD28167807
Catalog No.:AA0014D0

1332331-08-4 | 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$69.00   $48.00
- +
5mg
≥98%
in stock  
$242.00   $169.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0014D0
Chemical Name:
3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-
CAS Number:
1332331-08-4
Molecular Formula:
C25H24N4O3
Molecular Weight:
428.4831
MDL Number:
MFCD28167807
SMILES:
O=C(N1CC[C@H](C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1
Properties
Computed Properties
 
Complexity:
773  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Literature

Title: A human fatty acid synthase inhibitor binds β-ketoacyl reductase in the keto-substrate site.

Journal: Nature chemical biology 20140901

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SDS
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Tags:1332331-08-4 Molecular Formula|1332331-08-4 MDL|1332331-08-4 SMILES|1332331-08-4 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-
Catalog No.: AA0014D0
1332331-08-4,MFCD28167807
1332331-08-4 | 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-
Pack Size： 1mg
Purity： ≥98%
in stock
$69.00 $48.00
Pack Size： 5mg
Purity： ≥98%
in stock
$242.00 $169.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0014D0
Chemical Name: 3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-
CAS Number: 1332331-08-4
Molecular Formula: C25H24N4O3
Molecular Weight: 428.4831
MDL Number: MFCD28167807
SMILES: O=C(N1CC[C@H](C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1
Properties
Complexity: 773  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Literature fold

Title: A human fatty acid synthase inhibitor binds β-ketoacyl reductase in the keto-substrate site.

Journal: Nature chemical biology20140901

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