5979-0097 Screening compound: 1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine

5979-0097 Screening compound: 1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine
5979-0097 Screening compound: 1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0097
1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine

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

5979-0097

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine

IUPAC name

1-benzoyl-3-(4-benzylpiperidine-1-carbonyl)piperidine

SMILES

O=C(C(CCC1)CN1C(c1ccccc1)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H30N2O2/c28-24(22-10-5-2-6-11-22)27-15-7-12-23(19-27)25(29)26-16-13-21(14-17-26)18-20-8-3-1-4-9-20/h1-6,8-11,21,23H,7,12-19H2/t23-/m0/s1

InChI Key

SWQGVKXNOSTTME-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03615665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.06

Polar Surface Area

33.197

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

5979-0097 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5979-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0097?
Check Price and Availability of 5979-0097, 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 5979-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0097
  • 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 5979-0097 available by request