8018-4871 Screening compound: 2-{4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine

8018-4871 Screening compound: 2-{4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine
8018-4871 Screening compound: 2-{4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4871
2-{4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)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

8018-4871

Molecular Formula

C19H11F3N4O2 (C19 H11 F3 N4 O2)

Compound Name

2-{4-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine

IUPAC name

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

SMILES

FC(c(cc1)cnc1Oc(cc1)ccc1-c1noc(-c2cnccc2)n1)(F)F

InChI

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

InChI Key

UUMVFRDNDDSUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800099

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

4.015

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.26

Polar Surface Area

56.948

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8018-4871 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4871?
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What is the minimum amount of 8018-4871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4871
  • 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 8018-4871 available by request