5042-0361 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluorobenzoate

5042-0361 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluorobenzoate
5042-0361 Screening compound: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0361
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluorobenzoate

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

5042-0361

Molecular Formula

C15H8FNO4 (C15 H8 FNO4)

Compound Name

1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluorobenzoate

IUPAC name

13-dioxo-23-dihydro-1H-isoindol-2-yl 4-fluorobenzoate

SMILES

O=C(c(cc1)ccc1F)ON(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C15H8FNO4/c16-10-7-5-9(6-8-10)15(20)21-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-8H

InChI Key

ZQEDOCXKSFRCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.70

Polar Surface Area

52.392

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5042-0361 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5042-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0361?
Check Price and Availability of 5042-0361, 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 5042-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0361
  • 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 5042-0361 available by request