D646-0023 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]acetamide

D646-0023 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]acetamide
D646-0023 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D646-0023
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]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

D646-0023

Molecular Formula

C18H15ClFN3O3 (C18 H15 ClFN3 O3)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]acetamide

SMILES

Cc1cc(OCC(Nc2noc(-c(cc3)ccc3F)n2)=O)cc(C)c1Cl

InChI

InChI=1S/C18H15ClFN3O3/c1-10-7-14(8-11(2)16(10)19)25-9-15(24)21-18-22-17(26-23-18)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,21,23,24)

InChI Key

DEKUPZDKXRZNEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-5.28

Polar Surface Area

63.427

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D646-0023 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D646-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D646-0023?
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What is the minimum amount of D646-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D646-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D646-0023
  • 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 D646-0023 available by request