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Home Other Building Blocks 2220184-50-7
2220184-50-7
Catalog No.:AA01FUI9

2220184-50-7 | CDK12-IN-3

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$685.00   $480.00
- +
10mg
99%
1 week  
$1,082.00   $758.00
- +
25mg
99%
1 week  
$2,241.00   $1,569.00
- +
50mg
99%
1 week  
$3,685.00   $2,580.00
- +
100mg
99%
1 week  
$6,225.00   $4,358.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01FUI9
Chemical Name:
CDK12-IN-3
CAS Number:
2220184-50-7
Molecular Formula:
C23H28F2N8O
Molecular Weight:
470.5182
SMILES:
OCC[C@@H]1CCCCN1c1nc(NCc2nc3c([nH]2)c(F)c(cc3)F)c2c(n1)n(cn2)C(C)C
Properties
Computed Properties
 
Complexity:
677  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.4  

Literature

Title: Johannes JW, et al. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem. 2018 Feb 6;13(3):231-235.

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SDS
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Tags:2220184-50-7 Molecular Formula|2220184-50-7 MDL|2220184-50-7 SMILES|2220184-50-7 CDK12-IN-3