8004-3970 Screening compound: 4,5,6-trimethyl-2-(methylsulfanyl)-3-pyridyl cyanide

8004-3970 Screening compound: 4,5,6-trimethyl-2-(methylsulfanyl)-3-pyridyl cyanide
8004-3970 Screening compound: 4,5,6-trimethyl-2-(methylsulfanyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3970
4,5,6-trimethyl-2-(methylsulfanyl)-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

8004-3970

Molecular Formula

C10H12N2S (C10 H12 N2 S)

Compound Name

4,5,6-trimethyl-2-(methylsulfanyl)-3-pyridyl cyanide

IUPAC name

456-trimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile

SMILES

Cc(c(C)c1C#N)c(C)nc1SC

InChI

InChI=1S/C10H12N2S/c1-6-7(2)9(5-11)10(13-4)12-8(6)3/h1-4H3

InChI Key

FKJDMXNHTLVWMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.00

Polar Surface Area

26.619

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8004-3970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3970?
Check Price and Availability of 8004-3970, 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 8004-3970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3970
  • 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 8004-3970 available by request