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1936421-41-8,MFCD31690434
Catalog No.:AA01EIKY

1936421-41-8 | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%
1 week  
$924.00   $647.00
- +
10mg
98%
1 week  
$1,400.00   $980.00
- +
50mg
98%
1 week  
$4,416.00   $3,091.00
- +
100mg
98%
1 week  
$6,320.00   $4,424.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EIKY
Chemical Name:
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CAS Number:
1936421-41-8
Molecular Formula:
C27H32F2N6O2
Molecular Weight:
510.5788
MDL Number:
MFCD31690434
SMILES:
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2c1cc(C(F)F)c(c2)c1cnn(c1)C
Properties
Computed Properties
 
Complexity:
816  
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:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: Romero FA, et al. GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J Med Chem. 2017 Nov 22;60(22):9162-9183.

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SDS
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Tags:1936421-41-8 Molecular Formula|1936421-41-8 MDL|1936421-41-8 SMILES|1936421-41-8 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Catalog No.: AA01EIKY
1936421-41-8,MFCD31690434
1936421-41-8 | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Pack Size： 5mg
Purity： 98%
1 week
$924.00 $647.00
Pack Size： 10mg
Purity： 98%
1 week
$1,400.00 $980.00
Pack Size： 50mg
Purity： 98%
1 week
$4,416.00 $3,091.00
Pack Size： 100mg
Purity： 98%
1 week
$6,320.00 $4,424.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01EIKY
Chemical Name: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-(oxan-4-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CAS Number: 1936421-41-8
Molecular Formula: C27H32F2N6O2
Molecular Weight: 510.5788
MDL Number: MFCD31690434
SMILES: CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2c1cc(C(F)F)c(c2)c1cnn(c1)C
Properties
Complexity: 816  
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: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
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