D353-0782 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3,4-oxadiazole

D353-0782 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3,4-oxadiazole
D353-0782 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D353-0782
2-(2H-1,3-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3,4-oxadiazole

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

D353-0782

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3,4-oxadiazole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-134-oxadiazole

SMILES

Cc(cc1)cc(OC)c1OCCSc1nnc(-c(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C19H18N2O5S/c1-12-3-5-14(16(9-12)22-2)23-7-8-27-19-21-20-18(26-19)13-4-6-15-17(10-13)25-11-24-15/h3-6,9-10H,7-8,11H2,1-2H3

InChI Key

AVYUQPNXCJLELD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.63

Polar Surface Area

62.314

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D353-0782 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D353-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D353-0782?
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What is the minimum amount of D353-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D353-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D353-0782
  • 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 D353-0782 available by request