C328-0133 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide

C328-0133 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide
C328-0133 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0133
2-(4-chlorophenoxy)-N-[(5-{[2-oxo-2-(pyrrolidin-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

C328-0133

Molecular Formula

C17H19ClN4O4S (C17 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(N1CCCC1)=O

InChI

InChI=1S/C17H19ClN4O4S/c18-12-3-5-13(6-4-12)25-10-14(23)19-9-15-20-21-17(26-15)27-11-16(24)22-7-1-2-8-22/h3-6H,1-2,7-11H2,(H,19,23)

InChI Key

IVZZGKGCEUHMED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.88

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

1.676

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.75

Polar Surface Area

78.459

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C328-0133 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C328-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0133?
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What is the minimum amount of C328-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0133
  • 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 C328-0133 available by request