K786-5033 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K786-5033 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K786-5033 Screening compound: 2-[2-(4-chlorophenyl)ethyl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5033
2-[2-(4-chlorophenyl)ethyl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-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

K786-5033

Molecular Formula

C27H34ClN3O2 (C27 H34 ClN3 O2)

Compound Name

2-[2-(4-chlorophenyl)ethyl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[2-(4-chlorophenyl)ethyl]-N-[3-(26-dimethylpiperidin-1-yl)propyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CC1N(CCCNC(C(c2c3cccc2)N(CCc(cc2)ccc2Cl)C3=O)=O)C(C)CCC1

InChI

InChI=1S/C27H34ClN3O2/c1-19-7-5-8-20(2)30(19)17-6-16-29-26(32)25-23-9-3-4-10-24(23)27(33)31(25)18-15-21-11-13-22(28)14-12-21/h3-4,9-14,19-20,25H,5-8,15-18H2,1-2H3,(H,29,32)

InChI Key

JNKMSEDHGGNYIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-4.63

Polar Surface Area

43.060

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

K786-5033 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Cyclic Ugi PPI Library (9586 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-5033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5033?
Check Price and Availability of K786-5033, 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 K786-5033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5033
  • 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 K786-5033 available by request