K786-3558 Screening compound: N-cyclooctyl-2-[3-(morpholin-4-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K786-3558 Screening compound: N-cyclooctyl-2-[3-(morpholin-4-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K786-3558 Screening compound: N-cyclooctyl-2-[3-(morpholin-4-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3558
N-cyclooctyl-2-[3-(morpholin-4-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

K786-3558

Molecular Formula

C24H35N3O3 (C24 H35 N3 O3)

Compound Name

N-cyclooctyl-2-[3-(morpholin-4-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

N-cyclooctyl-2-[3-(morpholin-4-yl)propyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

O=C(C(c1c2cccc1)N(CCCN1CCOCC1)C2=O)NC1CCCCCCC1

InChI

InChI=1S/C24H35N3O3/c28-23(25-19-9-4-2-1-3-5-10-19)22-20-11-6-7-12-21(20)24(29)27(22)14-8-13-26-15-17-30-18-16-26/h6-7,11-12,19,22H,1-5,8-10,13-18H2,(H,25,28)/t22-/m0/s1

InChI Key

PFJDBYHLCVOZBC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05033007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.51

Polar Surface Area

52.628

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

K786-3558 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-3558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3558?
Check Price and Availability of K786-3558, 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 K786-3558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3558
  • 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 K786-3558 available by request