D041-0158 Screening compound: 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

D041-0158 Screening compound: 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
D041-0158 Screening compound: 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0158
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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

D041-0158

Molecular Formula

C16H11F3N2O (C16 H11 F3 N2 O)

Compound Name

5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-benzyl-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

FC(c(cc1)ccc1-c1noc(Cc2ccccc2)n1)(F)F

InChI

InChI=1S/C16H11F3N2O/c17-16(18,19)13-8-6-12(7-9-13)15-20-14(22-21-15)10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

AKBOLBGOMPIDED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.43

Polar Surface Area

31.310

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D041-0158 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D041-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0158?
Check Price and Availability of D041-0158, 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 D041-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0158
  • 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 D041-0158 available by request