5042-0363 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate

5042-0363 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate
5042-0363 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0363
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate

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

5042-0363

Molecular Formula

C13H7NO5 (C13 H7 NO5)

Compound Name

1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl furan-2-carboxylate

IUPAC name

13-dioxo-23-dihydro-1H-isoindol-2-yl furan-2-carboxylate

SMILES

O=C(c1ccco1)ON(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C13H7NO5/c15-11-8-4-1-2-5-9(8)12(16)14(11)19-13(17)10-6-3-7-18-10/h1-7H

InChI Key

WMXZGHUSXJBNNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00583229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.215

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.64

Polar Surface Area

60.971

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5042-0363 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5042-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0363?
Check Price and Availability of 5042-0363, 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 5042-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0363
  • 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 5042-0363 available by request