0139-0251 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

0139-0251 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
0139-0251 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0139-0251
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic 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

0139-0251

Molecular Formula

C10H7NO4 (C10 H7 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)

InChI Key

WQINSVOOIJDOLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.17

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

-0.282

Distribution Coefficient, logD

-4.709

Water Solubility, LogSw

-2.19

Polar Surface Area

58.147

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0139-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0139-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0139-0251?
Check Price and Availability of 0139-0251, 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 0139-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0139-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0139-0251
  • 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 0139-0251 available by request