4534-2267 Screening compound: 3-(4-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

4534-2267 Screening compound: 3-(4-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
4534-2267 Screening compound: 3-(4-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-2267
3-(4-nitrophenyl)-5-(2-phenylethyl)-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

4534-2267

Molecular Formula

C16H13N3O3 (C16 H13 N3 O3)

Compound Name

3-(4-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

IUPAC name

3-(4-nitrophenyl)-5-(2-phenylethyl)-124-oxadiazole

SMILES

[O-][N+](c(cc1)ccc1-c1noc(CCc2ccccc2)n1)=O

InChI

InChI=1S/C16H13N3O3/c20-19(21)14-9-7-13(8-10-14)16-17-15(22-18-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2

InChI Key

REFYGOONSFKSAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.90

Polar Surface Area

64.691

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4534-2267 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4534-2267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-2267?
Check Price and Availability of 4534-2267, 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 4534-2267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-2267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-2267
  • 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 4534-2267 available by request