0831-1080 Screening compound: 2-(4-morpholino-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

0831-1080 Screening compound: 2-(4-morpholino-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
0831-1080 Screening compound: 2-(4-morpholino-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1080
2-(4-morpholino-4-oxobutyl)-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

0831-1080

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

2-(4-morpholino-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

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

SMILES

O=C(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)N1CCOCC1

InChI

InChI=1S/C20H20N2O4/c23-17(21-10-12-26-13-11-21)8-3-9-22-19(24)15-6-1-4-14-5-2-7-16(18(14)15)20(22)25/h1-2,4-7H,3,8-13H2

InChI Key

PWHGFIXMUWDIPW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.336

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-2.34

Polar Surface Area

53.133

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 0831-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1080?
Check Price and Availability of 0831-1080, 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 0831-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1080
  • 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 0831-1080 available by request