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Home Carboxys 1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
338747-41-4
Catalog Number:
AG00D4VI
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$125
- +
10mg
≥98%
1 week
United States
$165
- +
25mg
≥98%
1 week
United States
$312
- +
50mg
95%
1 week
United States
$371
- +
250mg
95%
1 week
United States
$705
- +
1g
95%
1 week
United States
$1732
- +
Product Description
Catalog Number:
AG00D4VI
Chemical Name:
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
338747-41-4
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
MDL Number:
MFCD01315710
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
InChI Key:
BZBBTGCKPRSPGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Properties
Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Discovery of a selective allosteric M1 receptor modulator with suitable development properties based on a quinolizidinone carboxylic acid scaffold. Journal of medicinal chemistry 20110714
Quinolizidinone carboxylic acid selective M1 allosteric modulators: SAR in the piperidine series. Bioorganic & medicinal chemistry letters 20110315
Heterocyclic fused pyridone carboxylic acid M(1) positive allosteric modulators. Bioorganic & medicinal chemistry letters 20100415
N-heterocyclic derived M1 positive allosteric modulators. Bioorganic & medicinal chemistry letters 20100215
Pyridine containing M(1) positive allosteric modulators with reduced plasma protein binding. Bioorganic & medicinal chemistry letters 20100115
Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M(1) positive allosteric modulators. Bioorganic & medicinal chemistry letters 20100115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties