4534-3863 Screening compound: 2-chlorophenyl {[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether

4534-3863 Screening compound: 2-chlorophenyl {[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether
4534-3863 Screening compound: 2-chlorophenyl {[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-3863
2-chlorophenyl {[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether

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

4534-3863

Molecular Formula

C14H10ClN3O2 (C14 H10 ClN3 O2)

Compound Name

2-chlorophenyl {[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether

IUPAC name

2-{5-[(2-chlorophenoxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Clc(cccc1)c1OCc1nc(-c2ncccc2)no1

InChI

InChI=1S/C14H10ClN3O2/c15-10-5-1-2-7-12(10)19-9-13-17-14(18-20-13)11-6-3-4-8-16-11/h1-8H,9H2

InChI Key

QBEHDXHXRCBGAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01624938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.38

Polar Surface Area

47.943

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

4534-3863 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4534-3863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-3863?
Check Price and Availability of 4534-3863, 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 4534-3863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-3863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-3863
  • 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 4534-3863 available by request