D247-0639 Screening compound: N-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenoxyacetamide

D247-0639 Screening compound: N-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenoxyacetamide
D247-0639 Screening compound: N-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D247-0639
N-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-phenoxyacetamide

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

D247-0639

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1noc(CNC(COc2ccccc2)=O)n1

InChI

InChI=1S/C18H17N3O3/c1-13-7-5-6-10-15(13)18-20-17(24-21-18)11-19-16(22)12-23-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22)

InChI Key

JPZVKGVWEQCDFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08068601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

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

3.264

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.49

Polar Surface Area

63.280

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D247-0639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D247-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D247-0639?
Check Price and Availability of D247-0639, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D247-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D247-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D247-0639
  • 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 D247-0639 available by request