G761-3006 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

G761-3006 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
G761-3006 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G761-3006
1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-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

G761-3006

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(prop-2-en-1-yl)-1234-tetrahydroquinoxaline-23-dione

SMILES

CC(CN(CC1)C(CN(c(cccc2)c2N(CC=C)C2=O)C2=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H28N4O3/c1-4-12-28-21-10-5-6-11-22(21)29(25(32)24(28)31)17-23(30)26-13-14-27(19(3)16-26)20-9-7-8-18(2)15-20/h4-11,15,19H,1,12-14,16-17H2,2-3H3/t19-/m0/s1

InChI Key

LLFRTZOLBXXCHW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27156177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.26

Polar Surface Area

49.644

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

G761-3006 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G761-3006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G761-3006?
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What is the minimum amount of G761-3006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G761-3006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G761-3006
  • 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 G761-3006 available by request