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1359164-11-6,MFCD25563263
Catalog No.:AA009F4A

1359164-11-6 | 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$192.00   $134.00
- +
10mg
≥98%
in stock  
$230.00   $161.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009F4A
Chemical Name:
2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
CAS Number:
1359164-11-6
Molecular Formula:
C26H24F7N3O
Molecular Weight:
527.4771
MDL Number:
MFCD25563263
SMILES:
Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
698  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.9  

Literature

Title: Kumar N, et al. Identification of SR2211: a potent synthetic RORγ-selective modulator. ACS Chem Biol. 2012 Apr 20;7(4):672-7.

Title: Song Y, et al. Identification of N-phenyl-2-(N-phenylphenylsulfonamido)acetamides as new RORγ inverse agonists: Virtual screening, structure-based optimization, and biological evaluation. Eur J Med Chem. 2016 Jun 30;116:13-26.

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Tags:1359164-11-6 Molecular Formula|1359164-11-6 MDL|1359164-11-6 SMILES|1359164-11-6 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
Catalog No.: AA009F4A
1359164-11-6,MFCD25563263
1359164-11-6 | 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
Pack Size： 1mg
Purity： ≥98%
in stock
$53.00 $37.00
Pack Size： 5mg
Purity： ≥98%
in stock
$192.00 $134.00
Pack Size： 10mg
Purity： ≥98%
in stock
$230.00 $161.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA009F4A
Chemical Name: 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
CAS Number: 1359164-11-6
Molecular Formula: C26H24F7N3O
Molecular Weight: 527.4771
MDL Number: MFCD25563263
SMILES: Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity: 698  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 37  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.9  
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