4953-1601 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazole

4953-1601 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazole
4953-1601 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1601
3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazole

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

4953-1601

Molecular Formula

C17H15ClN2O2 (C17 H15 ClN2 O2)

Compound Name

3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazole

IUPAC name

3-(4-chlorophenyl)-5-[(4-ethylphenoxy)methyl]-124-oxadiazole

SMILES

CCc(cc1)ccc1OCc1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C17H15ClN2O2/c1-2-12-3-9-15(10-4-12)21-11-16-19-17(20-22-16)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3

InChI Key

BWAKAGZNKKJIPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-6.17

Polar Surface Area

38.809

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4953-1601 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4953-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1601?
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What is the minimum amount of 4953-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1601
  • 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 4953-1601 available by request