D101-0561 Screening compound: 2-(4-methoxyphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

D101-0561 Screening compound: 2-(4-methoxyphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
D101-0561 Screening compound: 2-(4-methoxyphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0561
2-(4-methoxyphenoxy)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

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

D101-0561

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

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

IUPAC name

2-(4-methoxyphenoxy)-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}propanamide

SMILES

CC(C(NCc1nc(-c2cc(C)ccc2)no1)=O)Oc(cc1)ccc1OC

InChI

InChI=1S/C20H21N3O4/c1-13-5-4-6-15(11-13)19-22-18(27-23-19)12-21-20(24)14(2)26-17-9-7-16(25-3)8-10-17/h4-11,14H,12H2,1-3H3,(H,21,24)/t14-/m0/s1

InChI Key

WOLIRHMOGSKNJE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07629191

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.00

Polar Surface Area

70.328

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D101-0561 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D101-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0561?
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What is the minimum amount of D101-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0561
  • 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 D101-0561 available by request