4953-1602 Screening compound: 5-[(4-ethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

4953-1602 Screening compound: 5-[(4-ethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
4953-1602 Screening compound: 5-[(4-ethylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1602
5-[(4-ethylphenoxy)methyl]-3-(4-methoxyphenyl)-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

4953-1602

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OCc1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C18H18N2O3/c1-3-13-4-8-16(9-5-13)22-12-17-19-18(20-23-17)14-6-10-15(21-2)11-7-14/h4-11H,3,12H2,1-2H3

InChI Key

GOSITGFIRRZLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.65

Polar Surface Area

46.353

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4953-1602 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4953-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1602?
Check Price and Availability of 4953-1602, 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 4953-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1602
  • 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 4953-1602 available by request