Home Other Building Blocks 391210-00-7
391210-00-7,MFCD18384973
Catalog No.:AA00C6EC

391210-00-7 | PD318088

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$63.00   $44.00
- +
5mg
≥98%
in stock  
$276.00   $193.00
- +
10mg
≥98%
in stock  
$488.00   $341.00
- +
25mg
≥98%
in stock  
$989.00   $692.00
- +
100mg
≥98%
in stock  
$2,284.00   $1,599.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6EC
Chemical Name:
PD318088
CAS Number:
391210-00-7
Molecular Formula:
C16H13BrF3IN2O4
Molecular Weight:
561.0891
MDL Number:
MFCD18384973
SMILES:
OCC(CONC(=O)c1cc(Br)c(c(c1Nc1ccc(cc1F)I)F)F)O
Properties
Computed Properties
 
Complexity:
499  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.7  

Literature

Title: Ohren JF, et al. Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat Struct Mol Biol. 2004 Dec;11(12):1192-7.

Title: Han S, et al. Identification of coumarin derivatives as a novel class of allosteric MEK1 inhibitors. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5467-73.

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SDS
Tags:391210-00-7 Molecular Formula|391210-00-7 MDL|391210-00-7 SMILES|391210-00-7 PD318088