C328-0448 Screening compound: 3,4-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

C328-0448 Screening compound: 3,4-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide
C328-0448 Screening compound: 3,4-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0448
3,4-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

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

C328-0448

Molecular Formula

C19H24N4O5S (C19 H24 N4 O5 S)

Compound Name

3,4-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamide

IUPAC name

34-dimethoxy-N-[(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]benzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(N1CCCCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C19H24N4O5S/c1-26-14-7-6-13(10-15(14)27-2)18(25)20-11-16-21-22-19(28-16)29-12-17(24)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,25)

InChI Key

PKPROJHXLIWTOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.032

Distribution Coefficient, logD

1.032

Water Solubility, LogSw

-2.25

Polar Surface Area

86.068

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C328-0448 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C328-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0448?
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What is the minimum amount of C328-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0448
  • 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 C328-0448 available by request