G023-0727 Screening compound: methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-0727 Screening compound: methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-0727 Screening compound: methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0727
methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-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

G023-0727

Molecular Formula

C21H17ClN2O6S (C21 H17 ClN2 O6 S)

Compound Name

methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 6-chloro-2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

COC(c(cc1)ccc1NC(CSC(Nc(cc1)c2cc1Cl)=C(C(OC)=O)C2=O)=O)=O

InChI

InChI=1S/C21H17ClN2O6S/c1-29-20(27)11-3-6-13(7-4-11)23-16(25)10-31-19-17(21(28)30-2)18(26)14-9-12(22)5-8-15(14)24-19/h3-9H,10H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

SKYXEBLULXGLPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.89

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

0.876

Water Solubility, LogSw

-4.48

Polar Surface Area

89.038

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G023-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0727?
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What is the minimum amount of G023-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0727
  • 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 G023-0727 available by request