5451-0538 Screening compound: 1,4-DIHYDROXY-2-(MORPHOLIN-4-YL)-9,10-DIHYDROANTHRACENE-9,10-DIONE

5451-0538 Screening compound: 1,4-DIHYDROXY-2-(MORPHOLIN-4-YL)-9,10-DIHYDROANTHRACENE-9,10-DIONE
5451-0538 Screening compound: 1,4-DIHYDROXY-2-(MORPHOLIN-4-YL)-9,10-DIHYDROANTHRACENE-9,10-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0538
1,4-DIHYDROXY-2-(MORPHOLIN-4-YL)-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

5451-0538

Molecular Formula

C18H15NO5 (C18 H15 NO5)

Compound Name

1,4-DIHYDROXY-2-(MORPHOLIN-4-YL)-9,10-DIHYDROANTHRACENE-9,10-DIONE

IUPAC name

n/a

SMILES

Oc(cc(c(O)c1C(c2c3cccc2)=O)N2CCOCC2)c1C3=O

InChI

InChI=1S/C18H15NO5/c20-13-9-12(19-5-7-24-8-6-19)18(23)15-14(13)16(21)10-3-1-2-4-11(10)17(15)22/h1-4,9,20,23H,5-8H2

InChI Key

GZTDHHJOBWJCMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.39

Polar Surface Area

69.268

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5451-0538 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5451-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0538?
Check Price and Availability of 5451-0538, 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 5451-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0538
  • 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 5451-0538 available by request