G023-0777 Screening compound: methyl 2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-0777 Screening compound: methyl 2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-0777 Screening compound: methyl 2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0777
methyl 2-({[(5-chloro-2-methoxyphenyl)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

G023-0777

Molecular Formula

C20H17ClN2O5S (C20 H17 ClN2 O5 S)

Compound Name

methyl 2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

COC(C(C(c(cccc1)c1N1)=O)=C1SCC(Nc(cc(cc1)Cl)c1OC)=O)=O

InChI

InChI=1S/C20H17ClN2O5S/c1-27-15-8-7-11(21)9-14(15)22-16(24)10-29-19-17(20(26)28-2)18(25)12-5-3-4-6-13(12)23-19/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)

InChI Key

MXCWWWWWJPOMSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

2.078

Water Solubility, LogSw

-3.85

Polar Surface Area

74.797

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G023-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0777?
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What is the minimum amount of G023-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0777
  • 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 G023-0777 available by request