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1400989-25-4,MFCD31380911
Catalog No.:AA01BRWR

1400989-25-4 | 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea

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Purity
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1mg
≥98%
in stock  
$98.00   $68.00
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50mg
98+%
in stock  
$185.00   $130.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01BRWR
Chemical Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea
CAS Number:
1400989-25-4
Molecular Formula:
C21H13ClF3N3O2
Molecular Weight:
431.7950
MDL Number:
MFCD31380911
SMILES:
N#Cc1ccc(cc1)Oc1cccc(c1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Computed Properties
 
Complexity:
631  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
6  

Downstream Synthesis Route

[1]Hsu,Cheng-Yi;Liu,Chun-Yu;Shiau,Chung-Wai;Chen,Kuen-Feng;Chen,Pei-Jer;Tai,Wei-Tien;Huang,Jui-Wen;Kim,Inki[EuropeanJournalofMedicinalChemistry,2012,vol.55,p.220-227,8]

[1]Hsu,Cheng-Yi;Liu,Chun-Yu;Shiau,Chung-Wai;Chen,Kuen-Feng;Chen,Pei-Jer;Tai,Wei-Tien;Huang,Jui-Wen;Kim,Inki[EuropeanJournalofMedicinalChemistry,2012,vol.55,p.220-227,8]

Literature

Title: Blockade of STAT3 activation by sorafenib derivatives through enhancing SHP-1 phosphatase activity.

Journal: European journal of medicinal chemistry 20120901

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Tags:1400989-25-4 Molecular Formula|1400989-25-4 MDL|1400989-25-4 SMILES|1400989-25-4 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea