M116-0864 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazino)methyl]-N~1~-[(5-methyl-2-furyl)methyl]benzamide

M116-0864 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazino)methyl]-N~1~-[(5-methyl-2-furyl)methyl]benzamide
M116-0864 Screening compound: 4-[(4-cyclopentyl-2,3-dioxopiperazino)methyl]-N~1~-[(5-methyl-2-furyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-0864
4-[(4-cyclopentyl-2,3-dioxopiperazino)methyl]-N~1~-[(5-methyl-2-furyl)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

M116-0864

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

4-[(4-cyclopentyl-2,3-dioxopiperazino)methyl]-N~1~-[(5-methyl-2-furyl)methyl]benzamide

IUPAC name

n/a

SMILES

Cc1ccc(CNC(c2ccc(CN(CCN(C3CCCC3)C3=O)C3=O)cc2)=O)o1

InChI

InChI=1S/C23H27N3O4/c1-16-6-11-20(30-16)14-24-21(27)18-9-7-17(8-10-18)15-25-12-13-26(23(29)22(25)28)19-4-2-3-5-19/h6-11,19H,2-5,12-15H2,1H3,(H,24,27)

InChI Key

YAPZHFGCRZSGEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.73

Polar Surface Area

64.713

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

M116-0864 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M116-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-0864?
Check Price and Availability of M116-0864, 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 M116-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-0864
  • 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 M116-0864 available by request