K086-0017 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(4-heptylphenyl)-1,2,4-oxadiazole

K086-0017 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(4-heptylphenyl)-1,2,4-oxadiazole
K086-0017 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(4-heptylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K086-0017
5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(4-heptylphenyl)-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

K086-0017

Molecular Formula

C25H26ClN3O2 (C25 H26 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCc(cc1)ccc1-c1noc(-c2c(C)onc2-c(cccc2)c2Cl)n1

InChI

InChI=1S/C25H26ClN3O2/c1-3-4-5-6-7-10-18-13-15-19(16-14-18)24-27-25(31-29-24)22-17(2)30-28-23(22)20-11-8-9-12-21(20)26/h8-9,11-16H,3-7,10H2,1-2H3

InChI Key

SMIGWRDFGLUSGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.338

Distribution Coefficient, logD

8.338

Water Solubility, LogSw

-6.77

Polar Surface Area

53.604

Acid Dissociation Constant (pKa)

25.96

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with K086-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K086-0017?
Check Price and Availability of K086-0017, 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 K086-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K086-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K086-0017
  • 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 K086-0017 available by request