4901-0055 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

4901-0055 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione
4901-0055 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4901-0055
2-(4-methoxyphenyl)-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

4901-0055

Molecular Formula

C23H20N2O4 (C23 H20 N2 O4)

Compound Name

2-(4-methoxyphenyl)-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C23H20N2O4/c1-28-16-7-5-15(6-8-16)25-22(26)18-4-2-3-17-20(24-11-13-29-14-12-24)10-9-19(21(17)18)23(25)27/h2-10H,11-14H2,1H3

InChI Key

KMZLHLPTZBAUDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00629472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.67

Polar Surface Area

46.846

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 4901-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4901-0055?
Check Price and Availability of 4901-0055, 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 4901-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4901-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4901-0055
  • 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 4901-0055 available by request