K086-0002 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole

K086-0002 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole
K086-0002 Screening compound: 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K086-0002
5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-{4'-pentyl-[1,1'-biphenyl]-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

K086-0002

Molecular Formula

C29H26ClN3O2 (C29 H26 ClN3 O2)

Compound Name

5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-{4'-pentyl-[1,1'-biphenyl]-4-yl}-1,2,4-oxadiazole

IUPAC name

5-[3-(2-chlorophenyl)-5-methyl-12-oxazol-4-yl]-3-{4'-pentyl-[11'-biphenyl]-4-yl}-124-oxadiazole

SMILES

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

InChI

InChI=1S/C29H26ClN3O2/c1-3-4-5-8-20-11-13-21(14-12-20)22-15-17-23(18-16-22)28-31-29(35-33-28)26-19(2)34-32-27(26)24-9-6-7-10-25(24)30/h6-7,9-18H,3-5,8H2,1-2H3

InChI Key

PTWMWLZKEIASKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.170

Distribution Coefficient, logD

9.170

Water Solubility, LogSw

-6.78

Polar Surface Area

53.333

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

K086-0002 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K086-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K086-0002?
Check Price and Availability of K086-0002, 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 K086-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K086-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K086-0002
  • 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 K086-0002 available by request