G842-1404 Screening compound: N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide

G842-1404 Screening compound: N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
G842-1404 Screening compound: N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-1404
N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-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

G842-1404

Molecular Formula

C21H17F3N2O2S (C21 H17 F3 N2 O2 S)

Compound Name

N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide

IUPAC name

N-[2-(methylsulfanyl)phenyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-12-dihydropyridine-3-carboxamide

SMILES

CSc(cccc1)c1NC(C1=CC=CN(Cc2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C21H17F3N2O2S/c1-29-18-7-3-2-6-17(18)25-19(27)16-5-4-12-26(20(16)28)13-14-8-10-15(11-9-14)21(22,23)24/h2-12H,13H2,1H3,(H,25,27)

InChI Key

QFTWFPOHARCAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08324629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.15

Polar Surface Area

38.346

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G842-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-1404?
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What is the minimum amount of G842-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-1404
  • 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 G842-1404 available by request