8020-8920 Screening compound: 4,6-dimethyl-2-{[(1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]sulfanyl}-3-pyridyl cyanide

8020-8920 Screening compound: 4,6-dimethyl-2-{[(1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]sulfanyl}-3-pyridyl cyanide
8020-8920 Screening compound: 4,6-dimethyl-2-{[(1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]sulfanyl}-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8920
4,6-dimethyl-2-{[(1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]sulfanyl}-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

8020-8920

Molecular Formula

C19H17N3OS (C19 H17 N3 OS)

Compound Name

4,6-dimethyl-2-{[(1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]sulfanyl}-3-pyridyl cyanide

IUPAC name

n/a

SMILES

Cc(cc(C)nc1SCC2=Cc(cccc3)c3N(C)C2=O)c1C#N

InChI

InChI=1S/C19H17N3OS/c1-12-8-13(2)21-18(16(12)10-20)24-11-15-9-14-6-4-5-7-17(14)22(3)19(15)23/h4-9H,11H2,1-3H3

InChI Key

BJNJUYSRKFIFEL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.99

Polar Surface Area

40.717

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8020-8920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8920?
Check Price and Availability of 8020-8920, 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 8020-8920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8920
  • 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 8020-8920 available by request