D400-0452 Screening compound: 2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide

D400-0452 Screening compound: 2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide
D400-0452 Screening compound: 2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0452
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)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

D400-0452

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide

IUPAC name

2-[3-(3-ethyl-124-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide

SMILES

CCc1noc(-c2cccc(OCC(Nc3ccc(CC)cc3)=O)c2)n1

InChI

InChI=1S/C20H21N3O3/c1-3-14-8-10-16(11-9-14)21-19(24)13-25-17-7-5-6-15(12-17)20-22-18(4-2)23-26-20/h5-12H,3-4,13H2,1-2H3,(H,21,24)

InChI Key

WBLWGPHBHDJXHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.36

Polar Surface Area

63.283

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D400-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0452?
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What is the minimum amount of D400-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0452
  • 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 D400-0452 available by request