D400-3052 Screening compound: N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

D400-3052 Screening compound: N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
D400-3052 Screening compound: N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3052
N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

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

D400-3052

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

IUPAC name

N-(4-ethoxyphenyl)-2-[(3-phenyl-124-oxadiazol-5-yl)methoxy]benzamide

SMILES

CCOc(cc1)ccc1NC(c(cccc1)c1OCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C24H21N3O4/c1-2-29-19-14-12-18(13-15-19)25-24(28)20-10-6-7-11-21(20)30-16-22-26-23(27-31-22)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,28)

InChI Key

KEJSGPQPEJAOLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

5.162

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.04

Polar Surface Area

69.110

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D400-3052 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3052?
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What is the minimum amount of D400-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3052
  • 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 D400-3052 available by request