M116-0813 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

M116-0813 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
M116-0813 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-0813
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)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

M116-0813

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

IUPAC name

4-[(4-cyclopentyl-23-dioxopiperazin-1-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2ccc(CN(CCN(C3CCCC3)C3=O)C3=O)cc2)=O)cc1

InChI

InChI=1S/C25H29N3O3/c1-18-6-8-19(9-7-18)16-26-23(29)21-12-10-20(11-13-21)17-27-14-15-28(25(31)24(27)30)22-4-2-3-5-22/h6-13,22H,2-5,14-17H2,1H3,(H,26,29)

InChI Key

YMCWODYJGDEDCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.19

Polar Surface Area

57.450

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M116-0813 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M116-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-0813?
Check Price and Availability of M116-0813, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M116-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-0813
  • 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 M116-0813 available by request