G198-0016 Screening compound: methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

G198-0016 Screening compound: methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate
G198-0016 Screening compound: methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0016
methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-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

G198-0016

Molecular Formula

C19H16ClNO3S (C19 H16 ClNO3 S)

Compound Name

methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

IUPAC name

methyl 4-[(4-chlorophenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

SMILES

COC(c(c(SC)nc1ccccc11)c1OCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H16ClNO3S/c1-23-19(22)16-17(24-11-12-7-9-13(20)10-8-12)14-5-3-4-6-15(14)21-18(16)25-2/h3-10H,11H2,1-2H3

InChI Key

ZPYLMMUNEWQFMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-6.17

Polar Surface Area

37.275

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G198-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G198-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0016?
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What is the minimum amount of G198-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0016
  • 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 G198-0016 available by request