6527-0031 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl nicotinate

6527-0031 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl nicotinate
6527-0031 Screening compound: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl nicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6527-0031
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl nicotinate

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

6527-0031

Molecular Formula

C18H10N2O4 (C18 H10 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cnccc1)ON(C(c1c2c3cccc2ccc1)=O)C3=O

InChI

InChI=1S/C18H10N2O4/c21-16-13-7-1-4-11-5-2-8-14(15(11)13)17(22)20(16)24-18(23)12-6-3-9-19-10-12/h1-10H

InChI Key

OVCQMPLKPZAHFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05987812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.29

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

1.654

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.03

Polar Surface Area

61.273

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6527-0031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6527-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6527-0031?
Check Price and Availability of 6527-0031, 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 6527-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6527-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6527-0031
  • 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 6527-0031 available by request