C328-0422 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide

C328-0422 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide
C328-0422 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0422
N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide

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

C328-0422

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}furan-2-carboxamide

SMILES

CCCCc(cc1)ccc1NC(CSc1nnc(CNC(c2ccco2)=O)o1)=O

InChI

InChI=1S/C20H22N4O4S/c1-2-3-5-14-7-9-15(10-8-14)22-17(25)13-29-20-24-23-18(28-20)12-21-19(26)16-6-4-11-27-16/h4,6-11H,2-3,5,12-13H2,1H3,(H,21,26)(H,22,25)

InChI Key

TWKZOHONBUVNLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.51

Polar Surface Area

86.142

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C328-0422 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0422?
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What is the minimum amount of C328-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0422
  • 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 C328-0422 available by request