G843-0198 Screening compound: methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate

G843-0198 Screening compound: methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate
G843-0198 Screening compound: methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G843-0198
methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate

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

G843-0198

Molecular Formula

C21H17FN2O4 (C21 H17 FN2 O4)

Compound Name

methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-amido}benzoate

IUPAC name

methyl 2-{1-[(4-fluorophenyl)methyl]-6-oxo-16-dihydropyridine-3-amido}benzoate

SMILES

COC(c(cccc1)c1NC(C(C=C1)=CN(Cc(cc2)ccc2F)C1=O)=O)=O

InChI

InChI=1S/C21H17FN2O4/c1-28-21(27)17-4-2-3-5-18(17)23-20(26)15-8-11-19(25)24(13-15)12-14-6-9-16(22)10-7-14/h2-11,13H,12H2,1H3,(H,23,26)

InChI Key

REPKXLIJLABPCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

0.422

Water Solubility, LogSw

-3.01

Polar Surface Area

60.317

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G843-0198 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G843-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G843-0198?
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What is the minimum amount of G843-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G843-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G843-0198
  • 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 G843-0198 available by request