5451-0168 Screening compound: 6-morpholino-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione

5451-0168 Screening compound: 6-morpholino-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione
5451-0168 Screening compound: 6-morpholino-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0168
6-morpholino-3H-dibenzo[de,h]cinnoline-3,7(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

5451-0168

Molecular Formula

C19H15N3O3 (C19 H15 N3 O3)

Compound Name

6-morpholino-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione

IUPAC name

10-(morpholin-4-yl)-1516-diazatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2469(17)1012-heptaene-814-dione

SMILES

O=C(c(cccc1)c1C(c1c2cc3)=NNC2=O)c1c3N1CCOCC1

InChI

InChI=1S/C19H15N3O3/c23-18-12-4-2-1-3-11(12)17-15-13(19(24)21-20-17)5-6-14(16(15)18)22-7-9-25-10-8-22/h1-6H,7-10H2,(H,21,24)

InChI Key

MSTFRFWMXUMCCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.99

Polar Surface Area

59.978

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5451-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5451-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0168?
Check Price and Availability of 5451-0168, 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 5451-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0168
  • 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 5451-0168 available by request