8006-8529 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

8006-8529 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
8006-8529 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8529
2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

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

8006-8529

Molecular Formula

C18H14N2S2 (C18 H14 N2 S2)

Compound Name

2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

IUPAC name

2-{[(3-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

SMILES

Cc1cccc(CSc(nc(cc2)-c3cccs3)c2C#N)c1

InChI

InChI=1S/C18H14N2S2/c1-13-4-2-5-14(10-13)12-22-18-15(11-19)7-8-16(20-18)17-6-3-9-21-17/h2-10H,12H2,1H3

InChI Key

QWNKIBJLEZJJKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.75

Polar Surface Area

26.517

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8006-8529 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8006-8529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8529?
Check Price and Availability of 8006-8529, 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 8006-8529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8529
  • 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 8006-8529 available by request