4335-0782 Screening compound: 5-benzyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

4335-0782 Screening compound: 5-benzyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
4335-0782 Screening compound: 5-benzyl-3-(3-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4335-0782
5-benzyl-3-(3-nitrophenyl)-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

4335-0782

Molecular Formula

C15H11N3O3 (C15 H11 N3 O3)

Compound Name

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

IUPAC name

5-benzyl-3-(3-nitrophenyl)-124-oxadiazole

SMILES

[O-][N+](c1cc(-c2noc(Cc3ccccc3)n2)ccc1)=O

InChI

InChI=1S/C15H11N3O3/c19-18(20)13-8-4-7-12(10-13)15-16-14(21-17-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2

InChI Key

XOQBGWBFGYXOHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.54

Polar Surface Area

64.691

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4335-0782 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4335-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4335-0782?
Check Price and Availability of 4335-0782, 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 4335-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4335-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4335-0782
  • 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 4335-0782 available by request