G842-0115 Screening compound: N-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

G842-0115 Screening compound: N-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
G842-0115 Screening compound: N-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0115
N-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G842-0115

Molecular Formula

C21H19FN2O2 (C21 H19 FN2 O2)

Compound Name

N-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

IUPAC name

N-(25-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-12-dihydropyridine-3-carboxamide

SMILES

Cc1cc(NC(C2=CC=CN(Cc(cc3)ccc3F)C2=O)=O)c(C)cc1

InChI

InChI=1S/C21H19FN2O2/c1-14-5-6-15(2)19(12-14)23-20(25)18-4-3-11-24(21(18)26)13-16-7-9-17(22)10-8-16/h3-12H,13H2,1-2H3,(H,23,25)

InChI Key

JIYCVUKJMKMUQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08028884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-2.98

Polar Surface Area

38.346

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G842-0115 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G842-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0115?
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What is the minimum amount of G842-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0115
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G842-0115 available by request