4013-0013 Screening compound: 2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-9,10-dihydroanthracene-9,10-dione

4013-0013 Screening compound: 2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-9,10-dihydroanthracene-9,10-dione
4013-0013 Screening compound: 2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-0013
2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-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

4013-0013

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-9,10-dihydroanthracene-9,10-dione

IUPAC name

2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-910-dihydroanthracene-910-dione

SMILES

OC(CN1CCOCC1)COc(cc1)cc(C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C21H21NO5/c23-14(12-22-7-9-26-10-8-22)13-27-15-5-6-18-19(11-15)21(25)17-4-2-1-3-16(17)20(18)24/h1-6,11,14,23H,7-10,12-13H2/t14-/m0/s1

InChI Key

WVFQLLIUBCTZPC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03672424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.694

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.34

Polar Surface Area

61.940

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4013-0013 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4013-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-0013?
Check Price and Availability of 4013-0013, 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 4013-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-0013
  • 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 4013-0013 available by request