G198-0695 Screening compound: methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate

G198-0695 Screening compound: methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate
G198-0695 Screening compound: methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0695
methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)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

G198-0695

Molecular Formula

C27H24ClNO3S (C27 H24 ClNO3 S)

Compound Name

methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate

IUPAC name

methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(24-dimethylphenyl)methoxy]quinoline-3-carboxylate

SMILES

Cc1cc(C)c(COc2c(C(OC)=O)c(SCc(cccc3)c3Cl)nc3ccccc23)cc1

InChI

InChI=1S/C27H24ClNO3S/c1-17-12-13-19(18(2)14-17)15-32-25-21-9-5-7-11-23(21)29-26(24(25)27(30)31-3)33-16-20-8-4-6-10-22(20)28/h4-14H,15-16H2,1-3H3

InChI Key

YRBHSRMXXRJWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.01

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

7.749

Distribution Coefficient, logD

7.749

Water Solubility, LogSw

-6.60

Polar Surface Area

37.004

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G198-0695 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G198-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0695?
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What is the minimum amount of G198-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0695
  • 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 G198-0695 available by request