D468-0085 Screening compound: 2-phenyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide

D468-0085 Screening compound: 2-phenyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
D468-0085 Screening compound: 2-phenyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0085
2-phenyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide

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

D468-0085

Molecular Formula

C16H13N3O2 (C16 H13 N3 O2)

Compound Name

2-phenyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide

IUPAC name

2-phenyl-N-(5-phenyl-124-oxadiazol-3-yl)acetamide

SMILES

O=C(Cc1ccccc1)Nc1noc(-c2ccccc2)n1

InChI

InChI=1S/C16H13N3O2/c20-14(11-12-7-3-1-4-8-12)17-16-18-15(21-19-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19,20)

InChI Key

BVYHVRQJCGIZKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.28

Polar Surface Area

55.928

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D468-0085 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D468-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0085?
Check Price and Availability of D468-0085, 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 D468-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0085
  • 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 D468-0085 available by request