K786-8659 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

K786-8659 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
K786-8659 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8659
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

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

K786-8659

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc2ccccc2)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C21H23ClN2O2/c22-19-8-6-17(7-9-19)10-12-23-21(26)18-14-20(25)24(15-18)13-11-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,23,26)/t18-/m0/s1

InChI Key

SRJRSTOIZJWWCH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15101972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.31

Polar Surface Area

41.667

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K786-8659 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-8659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8659?
Check Price and Availability of K786-8659, 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 K786-8659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8659
  • 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 K786-8659 available by request