3333-4463 Screening compound: 2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

3333-4463 Screening compound: 2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
3333-4463 Screening compound: 2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4463
2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

3333-4463

Molecular Formula

C16H16N2O3 (C16 H16 N2 O3)

Compound Name

2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-{2-[(2-hydroxyethyl)amino]ethyl}-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

OCCNCCN(C(c1c2c3cccc2ccc1)=O)C3=O

InChI

InChI=1S/C16H16N2O3/c19-10-8-17-7-9-18-15(20)12-5-1-3-11-4-2-6-13(14(11)12)16(18)21/h1-6,17,19H,7-10H2

InChI Key

URSGUHDKQBISNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00181393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-2.43

Polar Surface Area

57.480

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3333-4463 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3333-4463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4463?
Check Price and Availability of 3333-4463, 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 3333-4463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4463
  • 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 3333-4463 available by request