K786-9116 Screening compound: N~2~-[3-(4-benzylpiperidino)propyl]-1-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxamide

K786-9116 Screening compound: N~2~-[3-(4-benzylpiperidino)propyl]-1-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxamide
K786-9116 Screening compound: N~2~-[3-(4-benzylpiperidino)propyl]-1-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9116
N~2~-[3-(4-benzylpiperidino)propyl]-1-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxamide

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

K786-9116

Molecular Formula

C28H37N3O2 (C28 H37 N3 O2)

Compound Name

N~2~-[3-(4-benzylpiperidino)propyl]-1-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

SMILES

Cc1ccc(CN(C(CC2)C(NCCCN3CCC(Cc4ccccc4)CC3)=O)C2=O)cc1

InChI

InChI=1S/C28H37N3O2/c1-22-8-10-25(11-9-22)21-31-26(12-13-27(31)32)28(33)29-16-5-17-30-18-14-24(15-19-30)20-23-6-3-2-4-7-23/h2-4,6-11,24,26H,5,12-21H2,1H3,(H,29,33)/t26-/m1/s1

InChI Key

OVVSKTDYFFCZQB-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15102180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-3.88

Polar Surface Area

44.980

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K786-9116 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-9116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9116?
Check Price and Availability of K786-9116, 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 K786-9116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9116
  • 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 K786-9116 available by request