G198-0757 Screening compound: methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate

G198-0757 Screening compound: methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate
G198-0757 Screening compound: methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0757
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]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

G198-0757

Molecular Formula

C25H18ClF2NO3S (C25 H18 ClF2 NO3 S)

Compound Name

methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate

IUPAC name

methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate

SMILES

COC(c(c(SCc(ccc(F)c1)c1Cl)nc1ccccc11)c1OCc1cc(F)ccc1)=O

InChI

InChI=1S/C25H18ClF2NO3S/c1-31-25(30)22-23(32-13-15-5-4-6-17(27)11-15)19-7-2-3-8-21(19)29-24(22)33-14-16-9-10-18(28)12-20(16)26/h2-12H,13-14H2,1H3

InChI Key

GMZVDKGCJWFZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.293

Distribution Coefficient, logD

7.293

Water Solubility, LogSw

-6.61

Polar Surface Area

37.004

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G198-0757 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 G198-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0757?
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What is the minimum amount of G198-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0757
  • 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 G198-0757 available by request