G198-0094 Screening compound: methyl 4-[(2-chlorophenyl)methoxy]-2-(ethylsulfanyl)quinoline-3-carboxylate

G198-0094 Screening compound: methyl 4-[(2-chlorophenyl)methoxy]-2-(ethylsulfanyl)quinoline-3-carboxylate
G198-0094 Screening compound: methyl 4-[(2-chlorophenyl)methoxy]-2-(ethylsulfanyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0094
methyl 4-[(2-chlorophenyl)methoxy]-2-(ethylsulfanyl)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

G198-0094

Molecular Formula

C20H18ClNO3S (C20 H18 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCSc1nc2ccccc2c(OCc(cccc2)c2Cl)c1C(OC)=O

InChI

InChI=1S/C20H18ClNO3S/c1-3-26-19-17(20(23)24-2)18(14-9-5-7-11-16(14)22-19)25-12-13-8-4-6-10-15(13)21/h4-11H,3,12H2,1-2H3

InChI Key

JFGLABIJIPLPBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.655

Distribution Coefficient, logD

5.655

Water Solubility, LogSw

-6.13

Polar Surface Area

37.275

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G198-0094 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G198-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0094?
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What is the minimum amount of G198-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0094
  • 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 G198-0094 available by request