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Home Other Building Blocks 1422554-34-4
1422554-34-4,MFCD16997591
Catalog No.:AA009CJ9

1422554-34-4 | Bet-in-1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$193.00   $135.00
- +
10mg
99%
1 week  
$289.00   $202.00
- +
50mg
99%
1 week  
$765.00   $535.00
- +
100mg
99%
1 week  
$1,241.00   $869.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA009CJ9
Chemical Name:
Bet-in-1
CAS Number:
1422554-34-4
Molecular Formula:
C25H30N4O4
Molecular Weight:
450.5301
MDL Number:
MFCD16997591
SMILES:
COC[C@H](n1c(nc2c1c1cc(OC)c(cc1nc2)c1c(C)noc1C)C1CCOCC1)C
Properties
Computed Properties
 
Complexity:
650  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Rotatable Bond Count:
6  
XLogP3:
3.2  

Literature

Title: Jones KL, et al. Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem. 2021;64(16):12200-12227.

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