G761-0433 Screening compound: 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

G761-0433 Screening compound: 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
G761-0433 Screening compound: 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G761-0433
1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

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

G761-0433

Molecular Formula

C23H25ClN4O3 (C23 H25 ClN4 O3)

Compound Name

1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-ethyl-1234-tetrahydroquinoxaline-23-dione

SMILES

CCN(c(cccc1)c1N(CC(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)C1=O)C1=O

InChI

InChI=1S/C23H25ClN4O3/c1-3-27-18-6-4-5-7-19(18)28(23(31)22(27)30)15-21(29)26-12-10-25(11-13-26)20-14-17(24)9-8-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3

InChI Key

KKAQJMZNGTUOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15033641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.28

Polar Surface Area

49.871

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G761-0433 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 G761-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G761-0433?
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What is the minimum amount of G761-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G761-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G761-0433
  • 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 G761-0433 available by request