D735-0017 Screening compound: 3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

D735-0017 Screening compound: 3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
D735-0017 Screening compound: 3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D735-0017
3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

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

D735-0017

Molecular Formula

C15H13N3OS (C15 H13 N3 OS)

Compound Name

3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{[(4-methylphenyl)sulfanyl]methyl}-124-oxadiazol-3-yl)pyridine

SMILES

Cc(cc1)ccc1SCc1nc(-c2cnccc2)no1

InChI

InChI=1S/C15H13N3OS/c1-11-4-6-13(7-5-11)20-10-14-17-15(18-19-14)12-3-2-8-16-9-12/h2-9H,10H2,1H3

InChI Key

OAGGHKTZJVPDPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.38

Polar Surface Area

40.828

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D735-0017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D735-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D735-0017?
Check Price and Availability of D735-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D735-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D735-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D735-0017
  • 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 D735-0017 available by request