G843-0476 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxamide

G843-0476 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
G843-0476 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G843-0476
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-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

G843-0476

Molecular Formula

C20H16ClFN2O2S (C20 H16 ClFN2 O2 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxamide

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-16-dihydropyridine-3-carboxamide

SMILES

CSc(cccc1)c1NC(C(C=C1)=CN(Cc(c(F)ccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C20H16ClFN2O2S/c1-27-18-8-3-2-7-17(18)23-20(26)13-9-10-19(25)24(11-13)12-14-15(21)5-4-6-16(14)22/h2-11H,12H2,1H3,(H,23,26)

InChI Key

NJLSOCQWZFDIGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.97

Polar Surface Area

39.143

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G843-0476 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 G843-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G843-0476?
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What is the minimum amount of G843-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G843-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G843-0476
  • 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 G843-0476 available by request