0488-0574 Screening compound: 2-(2-hydroxyethyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

0488-0574 Screening compound: 2-(2-hydroxyethyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione
0488-0574 Screening compound: 2-(2-hydroxyethyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0574
2-(2-hydroxyethyl)-6-morpholino-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

0488-0574

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

2-(2-hydroxyethyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(2-hydroxyethyl)-8-(morpholin-4-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

OCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C18H18N2O4/c21-9-6-20-17(22)13-3-1-2-12-15(19-7-10-24-11-8-19)5-4-14(16(12)13)18(20)23/h1-5,21H,6-11H2

InChI Key

PISZFGQUZQMCLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00476482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.515

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-2.42

Polar Surface Area

56.819

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0488-0574 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 0488-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0574?
Check Price and Availability of 0488-0574, 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 0488-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0574
  • 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 0488-0574 available by request