G198-0546 Screening compound: methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-4-[(2-methylbenzyl)oxy]-3-quinolinecarboxylate

G198-0546 Screening compound: methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-4-[(2-methylbenzyl)oxy]-3-quinolinecarboxylate
G198-0546 Screening compound: methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-4-[(2-methylbenzyl)oxy]-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0546
methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-4-[(2-methylbenzyl)oxy]-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

G198-0546

Molecular Formula

C27H24N2O4S (C27 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(COc2c(C(OC)=O)c(SCC(Nc3ccccc3)=O)nc3ccccc23)cccc1

InChI

InChI=1S/C27H24N2O4S/c1-18-10-6-7-11-19(18)16-33-25-21-14-8-9-15-22(21)29-26(24(25)27(31)32-2)34-17-23(30)28-20-12-4-3-5-13-20/h3-15H,16-17H2,1-2H3,(H,28,30)

InChI Key

GFSBLMIPFPSBTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.008

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-5.76

Polar Surface Area

60.153

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.81

G198-0546 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G198-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0546?
Check Price and Availability of G198-0546, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G198-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0546
  • 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 G198-0546 available by request