C328-0176 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide

C328-0176 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide
C328-0176 Screening compound: 2-(4-chlorophenoxy)-N-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0176
2-(4-chlorophenoxy)-N-{[5-({[(naphthalen-1-yl)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

C328-0176

Molecular Formula

C23H19ClN4O4S (C23 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

2-(4-chlorophenoxy)-N-{[5-({[(naphthalen-1-yl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}acetamide

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(Nc1cccc2ccccc12)=O

InChI

InChI=1S/C23H19ClN4O4S/c24-16-8-10-17(11-9-16)31-13-20(29)25-12-22-27-28-23(32-22)33-14-21(30)26-19-7-3-5-15-4-1-2-6-18(15)19/h1-11H,12-14H2,(H,25,29)(H,26,30)

InChI Key

TVEQPOQAXDEVBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.61

Polar Surface Area

83.880

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C328-0176 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C328-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0176?
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What is the minimum amount of C328-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0176
  • 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 C328-0176 available by request