D101-0518 Screening compound: 2,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D101-0518 Screening compound: 2,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D101-0518 Screening compound: 2,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0518
2,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

D101-0518

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

2,4,5-trimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

IUPAC name

245-trimethoxy-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}benzamide

SMILES

Cc(cc1)ccc1-c1noc(CNC(c(cc(c(OC)c2)OC)c2OC)=O)n1

InChI

InChI=1S/C20H21N3O5/c1-12-5-7-13(8-6-12)19-22-18(28-23-19)11-21-20(24)14-9-16(26-3)17(27-4)10-15(14)25-2/h5-10H,11H2,1-4H3,(H,21,24)

InChI Key

CGIFGWBDOWCQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.24

Polar Surface Area

78.886

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D101-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0518?
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What is the minimum amount of D101-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0518
  • 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 D101-0518 available by request