3592-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide

3592-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide
3592-0012 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3592-0012
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide

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

3592-0012

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(2-ethylphenyl)propanamide

SMILES

CCc(cccc1)c1NC(CCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C19H18N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22)

InChI Key

PVZQUNQVFBBAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00707958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-3.30

Polar Surface Area

51.921

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3592-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with 3592-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3592-0012?
Check Price and Availability of 3592-0012, 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 3592-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3592-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3592-0012
  • 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 3592-0012 available by request