0419-0331 Screening compound: 1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione

0419-0331 Screening compound: 1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione
0419-0331 Screening compound: 1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0419-0331
1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione

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

0419-0331

Molecular Formula

C11H14N2OS (C11 H14 N2 OS)

Compound Name

1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione

IUPAC name

1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione

SMILES

S=C(Cc1cnccc1)N1CCOCC1

InChI

InChI=1S/C11H14N2OS/c15-11(13-4-6-14-7-5-13)8-10-2-1-3-12-9-10/h1-3,9H,4-8H2

InChI Key

GTBVCLWBSABWPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00267741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.042

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-1.20

Polar Surface Area

19.577

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0419-0331 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0419-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0419-0331?
Check Price and Availability of 0419-0331, 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 0419-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0419-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0419-0331
  • 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 0419-0331 available by request