C328-0161 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide

C328-0161 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide
C328-0161 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0161
2-(4-chlorophenoxy)-N-{[5-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}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

C328-0161

Molecular Formula

C21H21ClN4O6S (C21 H21 ClN4 O6 S)

Compound Name

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

IUPAC name

2-(4-chlorophenoxy)-N-{[5-({[(24-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSc1nnc(CNC(COc(cc2)ccc2Cl)=O)o1)=O

InChI

InChI=1S/C21H21ClN4O6S/c1-29-15-7-8-16(17(9-15)30-2)24-19(28)12-33-21-26-25-20(32-21)10-23-18(27)11-31-14-5-3-13(22)4-6-14/h3-9H,10-12H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

ZAKYCQCVKIRTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-3.31

Polar Surface Area

99.326

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C328-0161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with C328-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0161?
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What is the minimum amount of C328-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0161
  • 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 C328-0161 available by request