3952-0309 Screening compound: 2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

3952-0309 Screening compound: 2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
3952-0309 Screening compound: 2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0309
2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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

3952-0309

Molecular Formula

C17H13NO5 (C17 H13 NO5)

Compound Name

2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-(2-ethoxyphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

CCOc(cccc1)c1N(C(c(cc1)c2cc1C(O)=O)=O)C2=O

InChI

InChI=1S/C17H13NO5/c1-2-23-14-6-4-3-5-13(14)18-15(19)11-8-7-10(17(21)22)9-12(11)16(18)20/h3-9H,2H2,1H3,(H,21,22)

InChI Key

RYZLFUHXAXEDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01159170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

-0.850

Water Solubility, LogSw

-3.36

Polar Surface Area

64.197

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3952-0309 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3952-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0309?
Check Price and Availability of 3952-0309, 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 3952-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0309
  • 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 3952-0309 available by request