M116-1842 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide

M116-1842 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide
M116-1842 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-1842
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide

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

M116-1842

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide

IUPAC name

4-[(4-benzyl-23-dioxopiperazin-1-yl)methyl]-N-cyclopentylbenzamide

SMILES

O=C(c1ccc(CN(CCN(Cc2ccccc2)C2=O)C2=O)cc1)NC1CCCC1

InChI

InChI=1S/C24H27N3O3/c28-22(25-21-8-4-5-9-21)20-12-10-19(11-13-20)17-27-15-14-26(23(29)24(27)30)16-18-6-2-1-3-7-18/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2,(H,25,28)

InChI Key

JJRAWDUVRJXSRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.71

Polar Surface Area

57.788

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M116-1842 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M116-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-1842?
Check Price and Availability of M116-1842, 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 M116-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-1842
  • 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 M116-1842 available by request