D514-0322 Screening compound: 2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide

D514-0322 Screening compound: 2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
D514-0322 Screening compound: 2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D514-0322
2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-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

D514-0322

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-[5-(2-methylphenyl)-124-oxadiazol-3-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc1noc(-c2c(C)cccc2)n1)=O

InChI

InChI=1S/C21H23N3O3/c1-14-7-5-6-8-17(14)19-23-20(24-27-19)22-18(25)13-26-16-11-9-15(10-12-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24,25)

InChI Key

SAJXPDOPAFSVFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.27

Polar Surface Area

63.427

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D514-0322 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D514-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D514-0322?
Check Price and Availability of D514-0322, 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 D514-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D514-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D514-0322
  • 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 D514-0322 available by request