L059-0105 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[4-ethyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}benzamide

L059-0105 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[4-ethyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}benzamide
L059-0105 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[4-ethyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0105
N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[4-ethyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}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

L059-0105

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[4-ethyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}benzamide

IUPAC name

n/a

SMILES

CCN(c(cccc1)c1N(Cc(cc1)ccc1C(NCCC1=CCCCC1)=O)C1=O)C1=O

InChI

InChI=1S/C26H29N3O3/c1-2-28-22-10-6-7-11-23(22)29(26(32)25(28)31)18-20-12-14-21(15-13-20)24(30)27-17-16-19-8-4-3-5-9-19/h6-8,10-15H,2-5,9,16-18H2,1H3,(H,27,30)

InChI Key

VMSCAYUQQSPWPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.83

Polar Surface Area

54.967

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L059-0105 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L059-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0105?
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What is the minimum amount of L059-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0105
  • 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 L059-0105 available by request