8018-4873 Screening compound: 4-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]phenyl [5-(trifluoromethyl)-2-pyridyl] ether

8018-4873 Screening compound: 4-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]phenyl [5-(trifluoromethyl)-2-pyridyl] ether
8018-4873 Screening compound: 4-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]phenyl [5-(trifluoromethyl)-2-pyridyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4873
4-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]phenyl [5-(trifluoromethyl)-2-pyridyl] 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

8018-4873

Molecular Formula

C19H11F3N4O2 (C19 H11 F3 N4 O2)

Compound Name

4-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]phenyl [5-(trifluoromethyl)-2-pyridyl] ether

IUPAC name

2-{4-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine

SMILES

FC(c(cc1)cnc1Oc(cc1)ccc1-c1noc(-c2ccncc2)n1)(F)F

InChI

InChI=1S/C19H11F3N4O2/c20-19(21,22)14-3-6-16(24-11-14)27-15-4-1-12(2-5-15)17-25-18(28-26-17)13-7-9-23-10-8-13/h1-11H

InChI Key

CLMWUMDNAMBBSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.23

Polar Surface Area

56.858

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8018-4873 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8018-4873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4873?
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What is the minimum amount of 8018-4873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4873
  • 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 8018-4873 available by request