2248-4851 Screening compound: 2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl acetate

2248-4851 Screening compound: 2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl acetate
2248-4851 Screening compound: 2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2248-4851
2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl acetate

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

2248-4851

Molecular Formula

C16H13NO4 (C16 H13 NO4)

Compound Name

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

IUPAC name

2-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}ethyl acetate

SMILES

CC(OCCN(C(c1c2c3cccc2ccc1)=O)C3=O)=O

InChI

InChI=1S/C16H13NO4/c1-10(18)21-9-8-17-15(19)12-6-2-4-11-5-3-7-13(14(11)12)16(17)20/h2-7H,8-9H2,1H3

InChI Key

GMPFIOQAMBIPFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00683016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.98

Polar Surface Area

50.253

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2248-4851 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2248-4851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2248-4851?
Check Price and Availability of 2248-4851, 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 2248-4851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2248-4851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2248-4851
  • 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 2248-4851 available by request