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35975-86-1,MFCD03861197
Catalog No.:AA01A100

35975-86-1 | 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$434.00   $304.00
- +
100mg
95%
3 weeks  
$593.00   $415.00
- +
250mg
95%
3 weeks  
$799.00   $559.00
- +
500mg
95%
3 weeks  
$1,188.00   $832.00
- +
1g
95%
3 weeks  
$1,490.00   $1,043.00
- +
2.5g
95%
3 weeks  
$2,809.00   $1,967.00
- +
5g
95%
3 weeks  
$4,106.00   $2,874.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01A100
Chemical Name:
1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
35975-86-1
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD03861197
SMILES:
OC(=O)c1cn(Cc2ccccc2)c2c(c1=O)cccc2
NSC Number:
144504
Properties
Computed Properties
 
Complexity:
451  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2006,vol.49,p.70-79

[2]JournalofMedicinalChemistry,2014,vol.57,p.5405-5418

[3]Patent:WO2015/189560,2015,A1

[1]Stern,Eric;Muccioli,GiulioG.;Millet,Régis;Goossens,Jean-François;Farce,Amaury;Chavatte,Philippe;Poupaert,JacquesH.;Lambert,DidierM.;Depreux,Patrick;Hénichart,Jean-Pierre[JournalofMedicinalChemistry,2006,vol.49,#1,p.70-79]

[2]Davie,BrianaJ.;Valant,Celine;White,JonathanM.;Sexton,PatrickM.;Capuano,Ben;Christopoulos,Arthur;Scammells,PeterJ.[JournalofMedicinalChemistry,2014,vol.57,#12,p.5405-5418]

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2015/189560,2015,A1

[1]SyntheticCommunications,2000,vol.30,p.2533-2540

35975-86-1    530-62-1    87571-88-8   
(Endo)-N-(8-methyl-8-azabicyclo3.2.1octan-3-yl)-1-benzyl-1,4-dihydro-4-oxoquinoline-3-carboxamide 

[1]Patent:US5096901,1992,A

[1]JournalofMedicinalChemistry,2014,vol.57,p.5405-5418

Literature

Title: Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M(1) positive allosteric modulators.

Journal: Bioorganic & medicinal chemistry letters 20100115

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:35975-86-1 Molecular Formula|35975-86-1 MDL|35975-86-1 SMILES|35975-86-1 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid