G741-0416 Screening compound: N-benzyl-3-oxo-4-(2-oxo-2-{[2-(2-thienyl)ethyl]amino}ethyl)-3,4-dihydro-1(2H)-quinoxalinecarboxamide

G741-0416 Screening compound: N-benzyl-3-oxo-4-(2-oxo-2-{[2-(2-thienyl)ethyl]amino}ethyl)-3,4-dihydro-1(2H)-quinoxalinecarboxamide
G741-0416 Screening compound: N-benzyl-3-oxo-4-(2-oxo-2-{[2-(2-thienyl)ethyl]amino}ethyl)-3,4-dihydro-1(2H)-quinoxalinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0416
N-benzyl-3-oxo-4-(2-oxo-2-{[2-(2-thienyl)ethyl]amino}ethyl)-3,4-dihydro-1(2H)-quinoxalinecarboxamide

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

G741-0416

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

N-benzyl-3-oxo-4-(2-oxo-2-{[2-(2-thienyl)ethyl]amino}ethyl)-3,4-dihydro-1(2H)-quinoxalinecarboxamide

IUPAC name

N-benzyl-3-oxo-4-({[2-(thiophen-2-yl)ethyl]carbamoyl}methyl)-1234-tetrahydroquinoxaline-1-carboxamide

SMILES

O=C(CN(C(C1)=O)c(cccc2)c2N1C(NCc1ccccc1)=O)NCCc1cccs1

InChI

InChI=1S/C24H24N4O3S/c29-22(25-13-12-19-9-6-14-32-19)16-27-20-10-4-5-11-21(20)28(17-23(27)30)24(31)26-15-18-7-2-1-3-8-18/h1-11,14H,12-13,15-17H2,(H,25,29)(H,26,31)

InChI Key

YSHBSDAKNAAFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.79

Polar Surface Area

66.419

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

G741-0416 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 G741-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0416?
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What is the minimum amount of G741-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0416
  • 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 G741-0416 available by request