C328-0060 Screening compound: N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide

C328-0060 Screening compound: N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
C328-0060 Screening compound: N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0060
N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide

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

C328-0060

Molecular Formula

C18H22N4O4S (C18 H22 N4 O4 S)

Compound Name

N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide

IUPAC name

N-[(5-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCc(o1)nnc1SCC(NC1CCCC1)=O)=O

InChI

InChI=1S/C18H22N4O4S/c1-25-14-8-6-12(7-9-14)17(24)19-10-16-21-22-18(26-16)27-11-15(23)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)

InChI Key

VOBOXNHVJDJZRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-2.26

Polar Surface Area

86.521

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C328-0060 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C328-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0060?
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What is the minimum amount of C328-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0060
  • 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 C328-0060 available by request