S538-0744 Screening compound: 4-[4-(3-methylphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

S538-0744 Screening compound: 4-[4-(3-methylphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine
S538-0744 Screening compound: 4-[4-(3-methylphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0744
4-[4-(3-methylphenyl)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

S538-0744

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(CC2)CCN2c(ncnc2)c2-c2nc(-c3ccccc3)no2)c1

InChI

InChI=1S/C23H22N6O/c1-17-6-5-9-19(14-17)28-10-12-29(13-11-28)22-20(15-24-16-25-22)23-26-21(27-30-23)18-7-3-2-4-8-18/h2-9,14-16H,10-13H2,1H3

InChI Key

WQBHCHWJWLWMLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.50

Polar Surface Area

58.570

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S538-0744 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S538-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0744?
Check Price and Availability of S538-0744, 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 S538-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0744
  • 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 S538-0744 available by request