5586-0950 Screening compound: 2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]formamido}acetic acid

5586-0950 Screening compound: 2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]formamido}acetic acid
5586-0950 Screening compound: 2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]formamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-0950
2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]formamido}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

5586-0950

Molecular Formula

C17H12N2O5 (C17 H12 N2 O5)

Compound Name

2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]formamido}acetic acid

IUPAC name

2-{[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]formamido}acetic acid

SMILES

OC(CNC(c(cc1)ccc1N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C17H12N2O5/c20-14(21)9-18-15(22)10-5-7-11(8-6-10)19-16(23)12-3-1-2-4-13(12)17(19)24/h1-8H,9H2,(H,18,22)(H,20,21)

InChI Key

ZXHHFWIHGLCKOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02915390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.573

Distribution Coefficient, logD

-3.365

Water Solubility, LogSw

-2.13

Polar Surface Area

81.949

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5586-0950 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • 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 5586-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-0950?
Check Price and Availability of 5586-0950, 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 5586-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-0950
  • 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 5586-0950 available by request