C328-0046 Screening compound: N-{[5-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

C328-0046 Screening compound: N-{[5-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide
C328-0046 Screening compound: N-{[5-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0046
N-{[5-({[(4-ethylphenyl)carbamoyl]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

C328-0046

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSc1nnc(CNC(c(cc2)ccc2OC)=O)o1)=O

InChI

InChI=1S/C21H22N4O4S/c1-3-14-4-8-16(9-5-14)23-18(26)13-30-21-25-24-19(29-21)12-22-20(27)15-6-10-17(28-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,26)

InChI Key

WHJAXBZKFILFPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

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

3.058

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.49

Polar Surface Area

85.108

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C328-0046 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C328-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0046?
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What is the minimum amount of C328-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0046
  • 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 C328-0046 available by request