G023-1299 Screening compound: methyl 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-1299 Screening compound: methyl 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-1299 Screening compound: methyl 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-1299
methyl 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

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

G023-1299

Molecular Formula

C20H16F2N2O4S (C20 H16 F2 N2 O4 S)

Compound Name

methyl 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 2-({[(24-difluorophenyl)carbamoyl]methyl}sulfanyl)-6-methyl-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

Cc(cc1)cc2c1NC(SCC(Nc(ccc(F)c1)c1F)=O)=C(C(OC)=O)C2=O

InChI

InChI=1S/C20H16F2N2O4S/c1-10-3-5-14-12(7-10)18(26)17(20(27)28-2)19(24-14)29-9-16(25)23-15-6-4-11(21)8-13(15)22/h3-8H,9H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

JWMFAPHMQFYICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-3.73

Polar Surface Area

67.166

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G023-1299 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 G023-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-1299?
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What is the minimum amount of G023-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-1299
  • 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 G023-1299 available by request