D101-0460 Screening compound: 2-(3,4-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

D101-0460 Screening compound: 2-(3,4-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
D101-0460 Screening compound: 2-(3,4-dimethylphenoxy)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0460
2-(3,4-dimethylphenoxy)-N-{[3-(4-methylphenyl)-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

D101-0460

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

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

IUPAC name

2-(34-dimethylphenoxy)-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(CNC(COc2cc(C)c(C)cc2)=O)n1

InChI

InChI=1S/C20H21N3O3/c1-13-4-7-16(8-5-13)20-22-19(26-23-20)11-21-18(24)12-25-17-9-6-14(2)15(3)10-17/h4-10H,11-12H2,1-3H3,(H,21,24)

InChI Key

LDJCCLUWYDMYPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629086

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.49

Polar Surface Area

63.280

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D101-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0460?
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What is the minimum amount of D101-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0460
  • 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 D101-0460 available by request