K786-5230 Screening compound: N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K786-5230 Screening compound: N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K786-5230 Screening compound: N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5230
N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-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

K786-5230

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

N-cyclooctyl-2-[(2-methoxyphenyl)methyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

COc1c(CN(C(C(NC2CCCCCCC2)=O)c2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C25H30N2O3/c1-30-22-16-10-7-11-18(22)17-27-23(20-14-8-9-15-21(20)25(27)29)24(28)26-19-12-5-3-2-4-6-13-19/h7-11,14-16,19,23H,2-6,12-13,17H2,1H3,(H,26,28)/t23-/m0/s1

InChI Key

UBRNIBVPZWYGPY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15101228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-4.82

Polar Surface Area

48.389

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K786-5230 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-5230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5230?
Check Price and Availability of K786-5230, 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 K786-5230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5230
  • 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 K786-5230 available by request