K809-1047 Screening compound: N-benzyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-methylacetamide

K809-1047 Screening compound: N-benzyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-methylacetamide
K809-1047 Screening compound: N-benzyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K809-1047
N-benzyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-methylacetamide

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

K809-1047

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

N-benzyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-methylacetamide

IUPAC name

N-benzyl-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C18H16N2O3/c1-19(11-13-7-3-2-4-8-13)16(21)12-20-17(22)14-9-5-6-10-15(14)18(20)23/h2-10H,11-12H2,1H3

InChI Key

JXCOEOHQJOOVDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

2.206

Water Solubility, LogSw

-2.85

Polar Surface Area

45.386

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K809-1047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K809-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K809-1047?
Check Price and Availability of K809-1047, 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 K809-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K809-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K809-1047
  • 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 K809-1047 available by request