8013-1668 Screening compound: 1-(ethylsulfanyl)-N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

8013-1668 Screening compound: 1-(ethylsulfanyl)-N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
8013-1668 Screening compound: 1-(ethylsulfanyl)-N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1668
1-(ethylsulfanyl)-N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

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

8013-1668

Molecular Formula

C23H16N2O5S (C23 H16 N2 O5 S)

Compound Name

1-(ethylsulfanyl)-N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

IUPAC name

1-(ethylsulfanyl)-N-(3-nitrophenyl)-910-dioxo-910-dihydroanthracene-2-carboxamide

SMILES

CCSc(c(C(Nc1cc([N+]([O-])=O)ccc1)=O)ccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C23H16N2O5S/c1-2-31-22-18(23(28)24-13-6-5-7-14(12-13)25(29)30)11-10-17-19(22)21(27)16-9-4-3-8-15(16)20(17)26/h3-12H,2H2,1H3,(H,24,28)

InChI Key

CUFSXZMOEOQYBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.522

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.52

Polar Surface Area

82.653

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8013-1668 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8013-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1668?
Check Price and Availability of 8013-1668, 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 8013-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1668
  • 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 8013-1668 available by request