D041-0173 Screening compound: 3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine

D041-0173 Screening compound: 3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine
D041-0173 Screening compound: 3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0173
3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-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

D041-0173

Molecular Formula

C14H8F3N3O (C14 H8 F3 N3 O)

Compound Name

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

IUPAC name

3-{3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}pyridine

SMILES

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

InChI

InChI=1S/C14H8F3N3O/c15-14(16,17)11-5-3-9(4-6-11)12-19-13(21-20-12)10-2-1-7-18-8-10/h1-8H

InChI Key

XEJQXKPZLXQORW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-3.94

Polar Surface Area

41.162

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D041-0173 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D041-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0173?
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What is the minimum amount of D041-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0173
  • 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 D041-0173 available by request