S538-0301 Screening compound: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

S538-0301 Screening compound: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine
S538-0301 Screening compound: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0301
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

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

S538-0301

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

IUPAC name

4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-(3-phenyl-124-oxadiazol-5-yl)pyrimidine

SMILES

CCOc(cccc1)c1N(CC1)CCN1c(ncnc1)c1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C24H24N6O2/c1-2-31-21-11-7-6-10-20(21)29-12-14-30(15-13-29)23-19(16-25-17-26-23)24-27-22(28-32-24)18-8-4-3-5-9-18/h3-11,16-17H,2,12-15H2,1H3

InChI Key

OXKBBLFZYXCQMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.44

Polar Surface Area

65.479

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S538-0301 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S538-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0301?
Check Price and Availability of S538-0301, 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 S538-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0301
  • 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 S538-0301 available by request