K086-0129 Screening compound: 2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine

K086-0129 Screening compound: 2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine
K086-0129 Screening compound: 2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound K086-0129
2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-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

K086-0129

Molecular Formula

C13H8N4O3 (C13 H8 N4 O3)

Compound Name

2-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine

IUPAC name

2-[5-(3-nitrophenyl)-124-oxadiazol-3-yl]pyridine

SMILES

[O-][N+](c1cc(-c2nc(-c3ncccc3)no2)ccc1)=O

InChI

InChI=1S/C13H8N4O3/c18-17(19)10-5-3-4-9(8-10)13-15-12(16-20-13)11-6-1-2-7-14-11/h1-8H

InChI Key

YYKRPCBJFTUNFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01624376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-2.99

Polar Surface Area

74.074

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K086-0129 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 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 K086-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K086-0129?
Check Price and Availability of K086-0129, 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 K086-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K086-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K086-0129
  • 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 K086-0129 available by request