M116-2695 Screening compound: 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-propylbenzamide

M116-2695 Screening compound: 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-propylbenzamide
M116-2695 Screening compound: 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-2695
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-propylbenzamide

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

M116-2695

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-propylbenzamide

IUPAC name

4-[(4-ethyl-23-dioxopiperazin-1-yl)methyl]-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN(CCN(CC)C2=O)C2=O)cc1)=O

InChI

InChI=1S/C17H23N3O3/c1-3-9-18-15(21)14-7-5-13(6-8-14)12-20-11-10-19(4-2)16(22)17(20)23/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)

InChI Key

REEZHXGXPBBTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

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

0.851

Distribution Coefficient, logD

0.851

Water Solubility, LogSw

-2.15

Polar Surface Area

57.806

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

M116-2695 in Drug Discovery

Included in Screening Libraries

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

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M116-2695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-2695?
Check Price and Availability of M116-2695, 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 M116-2695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-2695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-2695
  • 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 M116-2695 available by request