5427-0022 Screening compound: 1-(morpholin-4-yl)-2-nitro-9,10-dihydroanthracene-9,10-dione

5427-0022 Screening compound: 1-(morpholin-4-yl)-2-nitro-9,10-dihydroanthracene-9,10-dione
5427-0022 Screening compound: 1-(morpholin-4-yl)-2-nitro-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5427-0022
1-(morpholin-4-yl)-2-nitro-9,10-dihydroanthracene-9,10-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

5427-0022

Molecular Formula

C18H14N2O5 (C18 H14 N2 O5)

Compound Name

1-(morpholin-4-yl)-2-nitro-9,10-dihydroanthracene-9,10-dione

IUPAC name

1-(morpholin-4-yl)-2-nitro-910-dihydroanthracene-910-dione

SMILES

[O-][N+](c(ccc(C(c1c2cccc1)=O)c1C2=O)c1N1CCOCC1)=O

InChI

InChI=1S/C18H14N2O5/c21-17-11-3-1-2-4-12(11)18(22)15-13(17)5-6-14(20(23)24)16(15)19-7-9-25-10-8-19/h1-6H,7-10H2

InChI Key

KZWDMVPWJVJECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02945184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-4.22

Polar Surface Area

70.020

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5427-0022 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)

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
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5427-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5427-0022?
Check Price and Availability of 5427-0022, 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 5427-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5427-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5427-0022
  • 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 5427-0022 available by request