8014-4790 Screening compound: octyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate

8014-4790 Screening compound: octyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate
8014-4790 Screening compound: octyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-4790
octyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate

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

8014-4790

Molecular Formula

C28H30N2O2S (C28 H30 N2 O2 S)

Compound Name

octyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate

IUPAC name

octyl 2-[(3-cyano-46-diphenylpyridin-2-yl)sulfanyl]acetate

SMILES

CCCCCCCCOC(CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)=O

InChI

InChI=1S/C28H30N2O2S/c1-2-3-4-5-6-13-18-32-27(31)21-33-28-25(20-29)24(22-14-9-7-10-15-22)19-26(30-28)23-16-11-8-12-17-23/h7-12,14-17,19H,2-6,13,18,21H2,1H3

InChI Key

HWWPQWVCSQAXCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.617

Distribution Coefficient, logD

8.617

Water Solubility, LogSw

-5.75

Polar Surface Area

45.952

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.14

8014-4790 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8014-4790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-4790?
Check Price and Availability of 8014-4790, 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 8014-4790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-4790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-4790
  • 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 8014-4790 available by request