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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
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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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Tags:1422554-34-4 Molecular Formula|1422554-34-4 MDL|1422554-34-4 SMILES|1422554-34-4 Bet-in-1
Catalog No.: AA009CJ9
1422554-34-4,MFCD16997591
1422554-34-4 | Bet-in-1
Pack Size： 5mg
Purity： 99%
1 week
$193.00 $135.00
Pack Size： 10mg
Purity： 99%
1 week
$289.00 $202.00
Pack Size： 50mg
Purity： 99%
1 week
$765.00 $535.00
Pack Size： 100mg
Purity： 99%
1 week
$1,241.00 $869.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 650  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
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