8010-6321 Screening compound: 4,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

8010-6321 Screening compound: 4,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
8010-6321 Screening compound: 4,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6321
4,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}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

8010-6321

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

4,6-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

46-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(N2CCOCC2)=O)c1C#N

InChI

InChI=1S/C14H17N3O2S/c1-10-7-11(2)16-14(12(10)8-15)20-9-13(18)17-3-5-19-6-4-17/h7H,3-6,9H2,1-2H3

InChI Key

VZMCPEMEGKNUOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01885857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.263

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-1.84

Polar Surface Area

49.878

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8010-6321 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8010-6321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6321?
Check Price and Availability of 8010-6321, 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 8010-6321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6321
  • 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 8010-6321 available by request