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82058-16-0,MFCD20488055
Catalog No.:AA00G4O9

82058-16-0 | NSC 33994

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98% by HPLC
in stock  
$88.00   $61.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00G4O9
Chemical Name:
NSC 33994
CAS Number:
82058-16-0
Molecular Formula:
C28H42N2O2
Molecular Weight:
438.6453
MDL Number:
MFCD20488055
SMILES:
CCN(Cc1cc(ccc1O)/C(=C(/c1ccc(c(c1)CN(CC)CC)O)\CC)/CC)CC
Properties
Computed Properties
 
Complexity:
508  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
12  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6.7  

Literature

Title: Róbert Kiss, et al. Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3598-601.

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Tags:82058-16-0 Molecular Formula|82058-16-0 MDL|82058-16-0 SMILES|82058-16-0 NSC 33994
Catalog No.: AA00G4O9
82058-16-0,MFCD20488055
82058-16-0 | NSC 33994
Pack Size： 1mg
Purity： 98% by HPLC
in stock
$88.00 $61.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00G4O9
Chemical Name: NSC 33994
CAS Number: 82058-16-0
Molecular Formula: C28H42N2O2
Molecular Weight: 438.6453
MDL Number: MFCD20488055
SMILES: CCN(Cc1cc(ccc1O)/C(=C(/c1ccc(c(c1)CN(CC)CC)O)\CC)/CC)CC
Properties
Complexity: 508  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 12  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6.7  
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