G023-0813 Screening compound: methyl 2-[(3-methoxybenzyl)sulfanyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate

G023-0813 Screening compound: methyl 2-[(3-methoxybenzyl)sulfanyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate
G023-0813 Screening compound: methyl 2-[(3-methoxybenzyl)sulfanyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0813
methyl 2-[(3-methoxybenzyl)sulfanyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate

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

G023-0813

Molecular Formula

C19H17NO4S (C19 H17 NO4 S)

Compound Name

methyl 2-[(3-methoxybenzyl)sulfanyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate

IUPAC name

methyl 2-{[(3-methoxyphenyl)methyl]sulfanyl}-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

COC(C(C(c(cccc1)c1N1)=O)=C1SCc1cc(OC)ccc1)=O

InChI

InChI=1S/C19H17NO4S/c1-23-13-7-5-6-12(10-13)11-25-18-16(19(22)24-2)17(21)14-8-3-4-9-15(14)20-18/h3-10H,11H2,1-2H3,(H,20,21)

InChI Key

BYPMILOYMHVCIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-4.11

Polar Surface Area

52.258

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

G023-0813 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G023-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0813?
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What is the minimum amount of G023-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0813
  • 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 G023-0813 available by request