0242-0585 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

0242-0585 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
0242-0585 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0585
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic 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

0242-0585

Molecular Formula

C11H9NO4 (C11 H9 NO4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoic acid

SMILES

CC(C(O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1

InChI Key

OZWUITKBAWTEAQ-LURJTMIESA-N

MDL Number (MFCD)

MFCD00023061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.870

Distribution Coefficient, logD

-3.319

Water Solubility, LogSw

-1.94

Polar Surface Area

57.512

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

0242-0585 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0242-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0585?
Check Price and Availability of 0242-0585, 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 0242-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0585
  • 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 0242-0585 available by request