G023-0694 Screening compound: methyl 6-chloro-2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-0694 Screening compound: methyl 6-chloro-2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-0694 Screening compound: methyl 6-chloro-2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0694
methyl 6-chloro-2-({[(3,5-dimethylphenyl)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

G023-0694

Molecular Formula

C21H19ClN2O4S (C21 H19 ClN2 O4 S)

Compound Name

methyl 6-chloro-2-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

methyl 6-chloro-2-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

Cc1cc(NC(CSC(Nc(cc2)c3cc2Cl)=C(C(OC)=O)C3=O)=O)cc(C)c1

InChI

InChI=1S/C21H19ClN2O4S/c1-11-6-12(2)8-14(7-11)23-17(25)10-29-20-18(21(27)28-3)19(26)15-9-13(22)4-5-16(15)24-20/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)

InChI Key

ORURXPUGLDCSTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-4.67

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G023-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0694?
Check Price and Availability of G023-0694, 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 G023-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0694
  • 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 G023-0694 available by request