8006-8539 Screening compound: 2-[(4-pyridylmethyl)sulfanyl]-6-(2-thienyl)-3-pyridyl cyanide

8006-8539 Screening compound: 2-[(4-pyridylmethyl)sulfanyl]-6-(2-thienyl)-3-pyridyl cyanide
8006-8539 Screening compound: 2-[(4-pyridylmethyl)sulfanyl]-6-(2-thienyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8539
2-[(4-pyridylmethyl)sulfanyl]-6-(2-thienyl)-3-pyridyl cyanide

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

8006-8539

Molecular Formula

C16H11N3S2 (C16 H11 N3 S2)

Compound Name

2-[(4-pyridylmethyl)sulfanyl]-6-(2-thienyl)-3-pyridyl cyanide

IUPAC name

2-{[(pyridin-4-yl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

SMILES

N#Cc(ccc(-c1cccs1)n1)c1SCc1ccncc1

InChI

InChI=1S/C16H11N3S2/c17-10-13-3-4-14(15-2-1-9-20-15)19-16(13)21-11-12-5-7-18-8-6-12/h1-9H,11H2

InChI Key

BJSOMKQBYUYZLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.66

Polar Surface Area

35.945

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

References: we are preparing a list of scientific research reports with 8006-8539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8539?
Check Price and Availability of 8006-8539, 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 8006-8539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8539
  • 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 8006-8539 available by request