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Home Amines 583059-55-6
583059-55-6,MFCD00955429
Catalog No.:AA00J016

583059-55-6 | [(E)-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino]thiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>90%
1 week  
$299.00   $209.00
- +
5mg
>90%
1 week  
$319.00   $223.00
- +
10mg
>90%
1 week  
$358.00   $250.00
- +
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Technical Information
Catalog Number:
AA00J016
Chemical Name:
[(E)-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino]thiourea
CAS Number:
583059-55-6
Molecular Formula:
C14H10ClF3N4OS
Molecular Weight:
374.7686
MDL Number:
MFCD00955429
SMILES:
NC(=S)N/N=C/c1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
458  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  

Literature

Title: Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.

Journal: Journal of medicinal chemistry 20030703

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Tags:583059-55-6 Molecular Formula|583059-55-6 MDL|583059-55-6 SMILES|583059-55-6 [(E)-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino]thiourea