K086-0059 Screening compound: 3-butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole

K086-0059 Screening compound: 3-butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
K086-0059 Screening compound: 3-butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K086-0059
3-butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-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

K086-0059

Molecular Formula

C16H16ClN3O2 (C16 H16 ClN3 O2)

Compound Name

3-butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole

IUPAC name

3-butyl-5-[3-(2-chlorophenyl)-5-methyl-12-oxazol-4-yl]-124-oxadiazole

SMILES

CCCCc1noc(-c2c(C)onc2-c(cccc2)c2Cl)n1

InChI

InChI=1S/C16H16ClN3O2/c1-3-4-9-13-18-16(22-19-13)14-10(2)21-20-15(14)11-7-5-6-8-12(11)17/h5-8H,3-4,9H2,1-2H3

InChI Key

HMKDOXIHYYWELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.82

Polar Surface Area

54.866

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

K086-0059 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K086-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K086-0059?
Check Price and Availability of K086-0059, 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 K086-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K086-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K086-0059
  • 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 K086-0059 available by request