L059-0096 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

L059-0096 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
L059-0096 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0096
4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

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

L059-0096

Molecular Formula

C28H26N4O3 (C28 H26 N4 O3)

Compound Name

4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

IUPAC name

4-[(4-ethyl-23-dioxo-1234-tetrahydroquinoxalin-1-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

SMILES

CCN(c(cccc1)c1N(Cc(cc1)ccc1C(NCCc1c[nH]c2c1cccc2)=O)C1=O)C1=O

InChI

InChI=1S/C28H26N4O3/c1-2-31-24-9-5-6-10-25(24)32(28(35)27(31)34)18-19-11-13-20(14-12-19)26(33)29-16-15-21-17-30-23-8-4-3-7-22(21)23/h3-14,17,30H,2,15-16,18H2,1H3,(H,29,33)

InChI Key

JPSDXUAPVIYJFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.88

Polar Surface Area

64.645

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

L059-0096 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L059-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0096?
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What is the minimum amount of L059-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0096
  • 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 L059-0096 available by request