G023-1385 Screening compound: methyl 2-({1-[(3-methoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

G023-1385 Screening compound: methyl 2-({1-[(3-methoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
G023-1385 Screening compound: methyl 2-({1-[(3-methoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G023-1385
methyl 2-({1-[(3-methoxyphenyl)carbamoyl]propyl}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

G023-1385

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

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

IUPAC name

methyl 2-({1-[(3-methoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)SC(Nc1c2cccc1)=C(C(OC)=O)C2=O

InChI

InChI=1S/C22H22N2O5S/c1-4-17(20(26)23-13-8-7-9-14(12-13)28-2)30-21-18(22(27)29-3)19(25)15-10-5-6-11-16(15)24-21/h5-12,17H,4H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1

InChI Key

GLKYDNWHRSTGND-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27209136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-4.38

Polar Surface Area

75.621

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G023-1385 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G023-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G023-1385?
Check Price and Availability of G023-1385, 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 G023-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G023-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G023-1385
  • 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 G023-1385 available by request