5429-1824 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

5429-1824 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
5429-1824 Screening compound: 2-(4-methoxyphenyl)-6-morpholino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5429-1824
2-(4-methoxyphenyl)-6-morpholino-5-nitro-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

5429-1824

Molecular Formula

C23H19N3O6 (C23 H19 N3 O6)

Compound Name

2-(4-methoxyphenyl)-6-morpholino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(4-methoxyphenyl)-8-(morpholin-4-yl)-7-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

COc(cc1)ccc1N(C(c(cccc12)c2c2cc([N+]([O-])=O)c1N1CCOCC1)=O)C2=O

InChI

InChI=1S/C23H19N3O6/c1-31-15-7-5-14(6-8-15)25-22(27)17-4-2-3-16-20(17)18(23(25)28)13-19(26(29)30)21(16)24-9-11-32-12-10-24/h2-8,13H,9-12H2,1H3

InChI Key

CISIEIDINRIZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.89

Polar Surface Area

79.626

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

5429-1824 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5429-1824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5429-1824?
Check Price and Availability of 5429-1824, 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 5429-1824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5429-1824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5429-1824
  • 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 5429-1824 available by request