G023-0771 Screening compound: methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydroquinoline-3-carboxylate

G023-0771 Screening compound: methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydroquinoline-3-carboxylate
G023-0771 Screening compound: methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0771
methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydroquinoline-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

G023-0771

Molecular Formula

C20H15F3N2O4S (C20 H15 F3 N2 O4 S)

Compound Name

methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-14-dihydroquinoline-3-carboxylate

SMILES

COC(C(C(c(cccc1)c1N1)=O)=C1SCC(Nc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C20H15F3N2O4S/c1-29-19(28)16-17(27)13-7-2-3-8-14(13)25-18(16)30-10-15(26)24-12-6-4-5-11(9-12)20(21,22)23/h2-9H,10H2,1H3,(H,24,26)(H,25,27)

InChI Key

XPIQKFLNXWGFJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-4.42

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G023-0771 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G023-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0771?
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What is the minimum amount of G023-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0771
  • 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 G023-0771 available by request