8016-4869 Screening compound: 4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile

8016-4869 Screening compound: 4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile
8016-4869 Screening compound: 4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4869
4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile

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

8016-4869

Molecular Formula

C13H6N4O2S (C13 H6 N4 O2 S)

Compound Name

4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile

IUPAC name

4-nitro-5-(pyridin-2-ylsulfanyl)benzene-12-dicarbonitrile

SMILES

N#Cc(c(C#N)c1)cc([N+]([O-])=O)c1Sc1ncccc1

InChI

InChI=1S/C13H6N4O2S/c14-7-9-5-11(17(18)19)12(6-10(9)8-15)20-13-3-1-2-4-16-13/h1-6H

InChI Key

DCQKOJCGMKFVRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.857

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.59

Polar Surface Area

75.569

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8016-4869 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-4869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4869?
Check Price and Availability of 8016-4869, 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 8016-4869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4869
  • 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 8016-4869 available by request