C292-0044 Screening compound: 2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

C292-0044 Screening compound: 2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
C292-0044 Screening compound: 2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C292-0044
2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

C292-0044

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-{[5-(3-methylphenyl)-134-oxadiazol-2-yl]sulfanyl}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

Cc1cccc(-c(o2)nnc2SCC(N(CCC2)c3c2cccc3)=O)c1

InChI

InChI=1S/C20H19N3O2S/c1-14-6-4-8-16(12-14)19-21-22-20(25-19)26-13-18(24)23-11-5-9-15-7-2-3-10-17(15)23/h2-4,6-8,10,12H,5,9,11,13H2,1H3

InChI Key

CHWRSQKJTHFGTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03115468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

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

3.805

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-3.82

Polar Surface Area

45.121

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C292-0044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C292-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C292-0044?
Check Price and Availability of C292-0044, 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 C292-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C292-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C292-0044
  • 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 C292-0044 available by request