M116-1877 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide

M116-1877 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
M116-1877 Screening compound: 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-1877
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)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

M116-1877

Molecular Formula

C26H24FN3O3 (C26 H24 FN3 O3)

Compound Name

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

IUPAC name

4-[(4-benzyl-23-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide

SMILES

Cc(cc1)cc(F)c1NC(c1ccc(CN(CCN(Cc2ccccc2)C2=O)C2=O)cc1)=O

InChI

InChI=1S/C26H24FN3O3/c1-18-7-12-23(22(27)15-18)28-24(31)21-10-8-20(9-11-21)17-30-14-13-29(25(32)26(30)33)16-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,28,31)

InChI Key

XYRTZBRJLIVZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

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

3.486

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.69

Polar Surface Area

55.677

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

M116-1877 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with M116-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-1877?
Check Price and Availability of M116-1877, 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 M116-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-1877
  • 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 M116-1877 available by request