G198-0302 Screening compound: methyl 4-[(3-methoxybenzyl)oxy]-2-[(4-methylbenzyl)sulfanyl]-3-quinolinecarboxylate

G198-0302 Screening compound: methyl 4-[(3-methoxybenzyl)oxy]-2-[(4-methylbenzyl)sulfanyl]-3-quinolinecarboxylate
G198-0302 Screening compound: methyl 4-[(3-methoxybenzyl)oxy]-2-[(4-methylbenzyl)sulfanyl]-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0302
methyl 4-[(3-methoxybenzyl)oxy]-2-[(4-methylbenzyl)sulfanyl]-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

G198-0302

Molecular Formula

C27H25NO4S (C27 H25 NO4 S)

Compound Name

methyl 4-[(3-methoxybenzyl)oxy]-2-[(4-methylbenzyl)sulfanyl]-3-quinolinecarboxylate

IUPAC name

methyl 4-[(3-methoxyphenyl)methoxy]-2-{[(4-methylphenyl)methyl]sulfanyl}quinoline-3-carboxylate

SMILES

Cc1ccc(CSc2nc3ccccc3c(OCc3cc(OC)ccc3)c2C(OC)=O)cc1

InChI

InChI=1S/C27H25NO4S/c1-18-11-13-19(14-12-18)17-33-26-24(27(29)31-3)25(22-9-4-5-10-23(22)28-26)32-16-20-7-6-8-21(15-20)30-2/h4-15H,16-17H2,1-3H3

InChI Key

JGAIRRHYRPKKQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.472

Distribution Coefficient, logD

6.472

Water Solubility, LogSw

-5.91

Polar Surface Area

44.548

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

G198-0302 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G198-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0302?
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What is the minimum amount of G198-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0302
  • 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 G198-0302 available by request