L059-0098 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]benzamide

L059-0098 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]benzamide
L059-0098 Screening compound: N-(1-benzylpiperidin-4-yl)-4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0098
N-(1-benzylpiperidin-4-yl)-4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)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

L059-0098

Molecular Formula

C30H32N4O3 (C30 H32 N4 O3)

Compound Name

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

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-[(4-ethyl-23-dioxo-1234-tetrahydroquinoxalin-1-yl)methyl]benzamide

SMILES

CCN(c(cccc1)c1N(Cc(cc1)ccc1C(NC1CCN(Cc2ccccc2)CC1)=O)C1=O)C1=O

InChI

InChI=1S/C30H32N4O3/c1-2-33-26-10-6-7-11-27(26)34(30(37)29(33)36)21-23-12-14-24(15-13-23)28(35)31-25-16-18-32(19-17-25)20-22-8-4-3-5-9-22/h3-15,25H,2,16-21H2,1H3,(H,31,35)

InChI Key

IQKMAKPVYYOICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-3.69

Polar Surface Area

58.199

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L059-0098 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 L059-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0098?
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What is the minimum amount of L059-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0098
  • 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 L059-0098 available by request