G753-0018 Screening compound: 2-{[4-(2-ethylbutanoyl)piperazino]methyl}-4(1H)-quinolinone

G753-0018 Screening compound: 2-{[4-(2-ethylbutanoyl)piperazino]methyl}-4(1H)-quinolinone
G753-0018 Screening compound: 2-{[4-(2-ethylbutanoyl)piperazino]methyl}-4(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound G753-0018
2-{[4-(2-ethylbutanoyl)piperazino]methyl}-4(1H)-quinolinone

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

G753-0018

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

2-{[4-(2-ethylbutanoyl)piperazino]methyl}-4(1H)-quinolinone

IUPAC name

2-{[4-(2-ethylbutanoyl)piperazin-1-yl]methyl}-14-dihydroquinolin-4-one

SMILES

CCC(CC)C(N1CCN(CC(Nc2c3cccc2)=CC3=O)CC1)=O

InChI

InChI=1S/C20H27N3O2/c1-3-15(4-2)20(25)23-11-9-22(10-12-23)14-16-13-19(24)17-7-5-6-8-18(17)21-16/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,21,24)

InChI Key

JJYKORJRHVPEQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-3.37

Polar Surface Area

45.493

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G753-0018 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G753-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G753-0018?
Check Price and Availability of G753-0018, 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 G753-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G753-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G753-0018
  • 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 G753-0018 available by request