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1276617-62-9,MFCD29081178
Catalog No.:AA01E65B

1276617-62-9 | VU0409106

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
2 weeks  
$800.00   $560.00
- +
10mg
2 weeks  
$1,040.00   $728.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01E65B
Chemical Name:
VU0409106
CAS Number:
1276617-62-9
Molecular Formula:
C15H11FN4O2S
Molecular Weight:
330.3368
MDL Number:
MFCD29081178
SMILES:
Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1scc(n1)C
Properties
Computed Properties
 
Complexity:
411  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature

Title: The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120901

Title: Felts AS, et al. Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bioorg Med Chem Lett. 2013 Nov 1;23(21):5779-85.

Title: Morrison RD, et al. The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5. Drug Metab Dispos. 2012 Sep;40(9):1834-45.

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SDS
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Tags:1276617-62-9 Molecular Formula|1276617-62-9 MDL|1276617-62-9 SMILES|1276617-62-9 VU0409106
Catalog No.: AA01E65B
1276617-62-9,MFCD29081178
1276617-62-9 | VU0409106
Pack Size： 5mg
Purity：
2 weeks
$800.00 $560.00
Pack Size： 10mg
Purity：
2 weeks
$1,040.00 $728.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01E65B
Chemical Name: VU0409106
CAS Number: 1276617-62-9
Molecular Formula: C15H11FN4O2S
Molecular Weight: 330.3368
MDL Number: MFCD29081178
SMILES: Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1scc(n1)C
Properties
Complexity: 411  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Literature fold

Title: The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5.

Journal: Drug metabolism and disposition: the biological fate of chemicals20120901

Title: Felts AS, et al. Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bioorg Med Chem Lett. 2013 Nov 1;23(21):5779-85.

Title: Morrison RD, et al. The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5. Drug Metab Dispos. 2012 Sep;40(9):1834-45.

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