K786-9142 Screening compound: 1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

K786-9142 Screening compound: 1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
K786-9142 Screening compound: 1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9142
1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-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

K786-9142

Molecular Formula

C17H23ClN2O2 (C17 H23 ClN2 O2)

Compound Name

1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCN(CC(C1)C(NCCc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C17H23ClN2O2/c1-2-3-10-20-12-14(11-16(20)21)17(22)19-9-8-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,22)/t14-/m0/s1

InChI Key

JDSGIRRQFASTGI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15102198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.83

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

2.259

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-3.37

Polar Surface Area

41.939

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

K786-9142 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-9142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9142?
Check Price and Availability of K786-9142, 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 K786-9142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9142
  • 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 K786-9142 available by request