0482-0013 Screening compound: ethyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate

0482-0013 Screening compound: ethyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
0482-0013 Screening compound: ethyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0482-0013
ethyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate

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

0482-0013

Molecular Formula

C17H11NO6 (C17 H11 NO6)

Compound Name

ethyl 1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate

IUPAC name

ethyl 1-nitro-910-dioxo-910-dihydroanthracene-2-carboxylate

SMILES

CCOC(c(c([N+]([O-])=O)c1C(c2c3cccc2)=O)ccc1C3=O)=O

InChI

InChI=1S/C17H11NO6/c1-2-24-17(21)12-8-7-11-13(14(12)18(22)23)16(20)10-6-4-3-5-9(10)15(11)19/h3-8H,2H2,1H3

InChI Key

YFFNXJUPKJZNHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00389025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.64

Polar Surface Area

79.714

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0482-0013 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0482-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0482-0013?
Check Price and Availability of 0482-0013, 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 0482-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0482-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0482-0013
  • 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 0482-0013 available by request