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Home Other Building Blocks JNJ-40411813

JNJ-40411813

CAS No.:
1127498-03-6
Catalog Number:
AG008TH4
Molecular Formula:
C20H25ClN2O
Molecular Weight:
344.8783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$357
- +
5mg
99%
1 week
United States
$890
- +
10mg
99%
1 week
United States
$1307
- +
50mg
99%
1 week
United States
$3723
- +
100mg
99%
1 week
United States
$5890
- +
Product Description
Catalog Number:
AG008TH4
Chemical Name:
JNJ-40411813
CAS Number:
1127498-03-6
Molecular Formula:
C20H25ClN2O
Molecular Weight:
344.8783
MDL Number:
MFCD22572363
IUPAC Name:
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
InChI:
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChI Key:
HYOGJHCDLQSAHX-UHFFFAOYSA-N
SMILES:
CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1
UNII:
612BYT76F3
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.166g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.883g/mol
Monoisotopic Mass:
344.166g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Pharmacological and pharmacokinetic properties of JNJ-40411813, a positive allosteric modulator of the mGlu2 receptor. Pharmacology research & perspectives 20150201
Properties