K784-9713 Screening compound: N-(butan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K784-9713 Screening compound: N-(butan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K784-9713 Screening compound: N-(butan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9713
N-(butan-2-yl)-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

K784-9713

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(C)NC(C(c1c2cccc1)N(Cc(cccc1)c1OC)C2=O)=O

InChI

InChI=1S/C21H24N2O3/c1-4-14(2)22-20(24)19-16-10-6-7-11-17(16)21(25)23(19)13-15-9-5-8-12-18(15)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,22,24)

InChI Key

DUKYIVMUHZJJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.66

Polar Surface Area

48.045

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

K784-9713 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Cyclic Ugi PPI Library (9586 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-9713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9713?
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What is the minimum amount of K784-9713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9713
  • 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 K784-9713 available by request