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1799974-70-1,MFCD31630709
Catalog No.:AA01EO7F

1799974-70-1 | KI696

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
1 week  
$226.00   $158.00
- +
5mg
95%
1 week  
$479.00   $336.00
- +
10mg
95%
1 week  
$730.00   $511.00
- +
25mg
95%
1 week  
$1,292.00   $904.00
- +
50mg
95%
1 week  
$1,749.00   $1,224.00
- +
100mg
95%
1 week  
$2,309.00   $1,616.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EO7F
Chemical Name:
KI696
CAS Number:
1799974-70-1
Molecular Formula:
C28H30N4O6S
Molecular Weight:
550.6260
MDL Number:
MFCD31630709
SMILES:
COc1cc(cc2c1n(C)nn2)[C@H](c1ccc(c(c1)CN1C[C@@H](C)Oc2c(S1(=O)=O)cccc2)C)CC(=O)O
Properties
Computed Properties
 
Complexity:
962  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Davies TG, et al. Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J Med Chem. 2016 Apr 28;59(8):3991-4006.

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SDS
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Tags:1799974-70-1 Molecular Formula|1799974-70-1 MDL|1799974-70-1 SMILES|1799974-70-1 KI696
Catalog No.: AA01EO7F
1799974-70-1,MFCD31630709
1799974-70-1 | KI696
Pack Size： 1mg
Purity： 95%
1 week
$226.00 $158.00
Pack Size： 5mg
Purity： 95%
1 week
$479.00 $336.00
Pack Size： 10mg
Purity： 95%
1 week
$730.00 $511.00
Pack Size： 25mg
Purity： 95%
1 week
$1,292.00 $904.00
Pack Size： 50mg
Purity： 95%
1 week
$1,749.00 $1,224.00
Pack Size： 100mg
Purity： 95%
1 week
$2,309.00 $1,616.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA01EO7F
Chemical Name: KI696
CAS Number: 1799974-70-1
Molecular Formula: C28H30N4O6S
Molecular Weight: 550.6260
MDL Number: MFCD31630709
SMILES: COc1cc(cc2c1n(C)nn2)[C@H](c1ccc(c(c1)CN1C[C@@H](C)Oc2c(S1(=O)=O)cccc2)C)CC(=O)O
Properties
Complexity: 962  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 39  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
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