D400-0594 Screening compound: 2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one

D400-0594 Screening compound: 2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one
D400-0594 Screening compound: 2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0594
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one

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

D400-0594

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-[4-(3-phenyl-124-oxadiazol-5-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(COc(cc1)ccc1-c1nc(-c2ccccc2)no1)N1CCCCC1

InChI

InChI=1S/C21H21N3O3/c25-19(24-13-5-2-6-14-24)15-26-18-11-9-17(10-12-18)21-22-20(23-27-21)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2

InChI Key

IHKVQGUCLIUMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.95

Polar Surface Area

55.264

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D400-0594 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0594?
Check Price and Availability of D400-0594, 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 D400-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0594
  • 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 D400-0594 available by request