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Home Other Building Blocks 1799633-27-4
1799633-27-4,MFCD31382374
Catalog No.:AA0021FZ

1799633-27-4 | S63845

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$111.00   $78.00
- +
5mg
98%
in stock  
$231.00   $162.00
- +
10mg
98%
in stock  
$438.00   $307.00
- +
25mg
98%
in stock  
$1,051.00   $736.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0021FZ
Chemical Name:
S63845
CAS Number:
1799633-27-4
Molecular Formula:
C39H37ClF4N6O6S
Molecular Weight:
829.2593
MDL Number:
MFCD31382374
SMILES:
CN1CCN(CC1)CCOc1ccc(c(c1Cl)C)c1c(sc2c1c(ncn2)O[C@@H](C(=O)O)Cc1ccccc1OCc1ccnn1CC(F)(F)F)c1ccc(o1)F
Properties
Computed Properties
 
Complexity:
1300  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
15  
XLogP3:
5.7  

Literature

Title: Kotschy A, et al. The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature. 2016 Oct 27;538(7626):477-482.

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SDS
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Tags:1799633-27-4 Molecular Formula|1799633-27-4 MDL|1799633-27-4 SMILES|1799633-27-4 S63845