C328-0142 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide

C328-0142 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide
C328-0142 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0142
2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide

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

C328-0142

Molecular Formula

C22H21ClN4O4S (C22 H21 ClN4 O4 S)

Compound Name

2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide

IUPAC name

2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]acetamide

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C22H21ClN4O4S/c23-16-7-9-17(10-8-16)30-13-19(28)24-12-20-25-26-22(31-20)32-14-21(29)27-11-3-5-15-4-1-2-6-18(15)27/h1-2,4,6-10H,3,5,11-14H2,(H,24,28)

InChI Key

KOBYZJSMBUMZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.58

Polar Surface Area

76.757

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C328-0142 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C328-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0142?
Check Price and Availability of C328-0142, 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 C328-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0142
  • 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 C328-0142 available by request