M116-0879 Screening compound: 1-cyclopentyl-4-{4-[(3-methylpiperidino)carbonyl]benzyl}tetrahydro-2,3-pyrazinedione

M116-0879 Screening compound: 1-cyclopentyl-4-{4-[(3-methylpiperidino)carbonyl]benzyl}tetrahydro-2,3-pyrazinedione
M116-0879 Screening compound: 1-cyclopentyl-4-{4-[(3-methylpiperidino)carbonyl]benzyl}tetrahydro-2,3-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-0879
1-cyclopentyl-4-{4-[(3-methylpiperidino)carbonyl]benzyl}tetrahydro-2,3-pyrazinedione

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

M116-0879

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

1-cyclopentyl-4-{4-[(3-methylpiperidino)carbonyl]benzyl}tetrahydro-2,3-pyrazinedione

IUPAC name

1-cyclopentyl-4-{[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl}piperazine-23-dione

SMILES

CC(CCC1)CN1C(c1ccc(CN(CCN(C2CCCC2)C2=O)C2=O)cc1)=O

InChI

InChI=1S/C23H31N3O3/c1-17-5-4-12-24(15-17)21(27)19-10-8-18(9-11-19)16-25-13-14-26(23(29)22(25)28)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3/t17-/m0/s1

InChI Key

QCXLZTPJQPMMPV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27497926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.51

Polar Surface Area

49.618

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

M116-0879 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 M116-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-0879?
Check Price and Availability of M116-0879, 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 M116-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-0879
  • 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 M116-0879 available by request