Home Fluorides 1285533-84-7
1285533-84-7,MFCD29041974
Catalog No.:AA01D8PW

1285533-84-7 | N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide

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100mg
97%
1 week  
$252.00   $177.00
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250mg
97%
1 week  
$427.00   $299.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA01D8PW
Chemical Name:
N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide
CAS Number:
1285533-84-7
Molecular Formula:
C21H17F3N4O3
Molecular Weight:
430.3799
MDL Number:
MFCD29041974
SMILES:
CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
611  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Usharani;BhujangaRao;Reddy;Dubey[AsianJournalofChemistry,2011,vol.23,#4,p.1802-1806]

[1]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2018/35346,2018,A1Locationinpatent:Paragraph00138

[2]Patterson,JaclynR.;Graves,AlanP.;Stoy,Patrick;Cheung,Mui;Desai,TinaA.;Fries,Harvey;Gatto,GregoryJ.;Holt,DennisA.;Shewchuk,Lisa;Totoritis,Rachel;Wang,Liping;Kallander,LaraS.[JournalofMedicinalChemistry,2021,vol.64,#21,p.15651-15670]

[3]Locationinpatent:experimentalpartUsharani;BhujangaRao;Reddy;Dubey[AsianJournalofChemistry,2011,vol.23,#4,p.1802-1806]

4-chloro-2-pyridinecarboxylicacidchloridehydrochloride 
  1285533-84-7 

[1]Usharani;BhujangaRao;Reddy;Dubey[AsianJournalofChemistry,2011,vol.23,#4,p.1802-1806]

[2]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2018/35346,2018,A1

[1]Usharani;BhujangaRao;Reddy;Dubey[AsianJournalofChemistry,2011,vol.23,#4,p.1802-1806]

[1]Usharani;BhujangaRao;Reddy;Dubey[AsianJournalofChemistry,2011,vol.23,#4,p.1802-1806]

Literature
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Tags:1285533-84-7 Molecular Formula|1285533-84-7 MDL|1285533-84-7 SMILES|1285533-84-7 N-methyl-4-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide