6527-0024 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 2-fluorobenzoate

6527-0024 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 2-fluorobenzoate
6527-0024 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6527-0024
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 2-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

6527-0024

Molecular Formula

C19H10FNO4 (C19 H10 FNO4)

Compound Name

1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 2-fluorobenzoate

IUPAC name

24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl 2-fluorobenzoate

SMILES

O=C(c(cccc1)c1F)ON(C(c1c2c3cccc2ccc1)=O)C3=O

InChI

InChI=1S/C19H10FNO4/c20-15-10-2-1-7-12(15)19(24)25-21-17(22)13-8-3-5-11-6-4-9-14(16(11)13)18(21)23/h1-10H

InChI Key

GUAPTMHWYIOJQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08161673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.29

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

2.816

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.73

Polar Surface Area

51.755

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6527-0024 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6527-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6527-0024?
Check Price and Availability of 6527-0024, 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 6527-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6527-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6527-0024
  • 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 6527-0024 available by request