D394-5853 Screening compound: phenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-5853 Screening compound: phenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-5853 Screening compound: phenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-5853
phenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

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

D394-5853

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

phenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

phenyl 2-{[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

COc(cc1)ccc1-c(o1)nnc1SCC(Oc1ccccc1)=O

InChI

InChI=1S/C17H14N2O4S/c1-21-13-9-7-12(8-10-13)16-18-19-17(23-16)24-11-15(20)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3

InChI Key

HZQOWVQQSGPNEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02278481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.67

Polar Surface Area

57.662

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D394-5853 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D394-5853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-5853?
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What is the minimum amount of D394-5853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-5853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-5853
  • 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 D394-5853 available by request