D101-0452 Screening compound: 2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

D101-0452 Screening compound: 2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
D101-0452 Screening compound: 2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0452
2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

D101-0452

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

IUPAC name

2-(4-ethylphenoxy)-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}acetamide

SMILES

CCc(cc1)ccc1OCC(NCc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C20H21N3O4/c1-3-14-4-8-17(9-5-14)26-13-18(24)21-12-19-22-20(23-27-19)15-6-10-16(25-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)

InChI Key

YGWSWHCSDKMXNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.17

Polar Surface Area

70.824

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D101-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0452?
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What is the minimum amount of D101-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0452
  • 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 D101-0452 available by request