G023-0701 Screening compound: methyl 6-chloro-2-({[(3-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-0701 Screening compound: methyl 6-chloro-2-({[(3-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-0701 Screening compound: methyl 6-chloro-2-({[(3-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-0701
methyl 6-chloro-2-({[(3-fluorophenyl)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

G023-0701

Molecular Formula

C19H14ClFN2O4S (C19 H14 ClFN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C(c(cc(cc1)Cl)c1N1)=O)=C1SCC(Nc1cc(F)ccc1)=O)=O

InChI

InChI=1S/C19H14ClFN2O4S/c1-27-19(26)16-17(25)13-7-10(20)5-6-14(13)23-18(16)28-9-15(24)22-12-4-2-3-11(21)8-12/h2-8H,9H2,1H3,(H,22,24)(H,23,25)

InChI Key

NLGWFCRMCLZOHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.85

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

4.081

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-4.45

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G023-0701 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G023-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-0701?
Check Price and Availability of G023-0701, 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 G023-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-0701
  • 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 G023-0701 available by request