S538-0077 Screening compound: 4-(4-methylpiperidin-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

S538-0077 Screening compound: 4-(4-methylpiperidin-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine
S538-0077 Screening compound: 4-(4-methylpiperidin-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0077
4-(4-methylpiperidin-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

S538-0077

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

4-(4-methylpiperidin-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine

IUPAC name

4-(4-methylpiperidin-1-yl)-5-(3-phenyl-124-oxadiazol-5-yl)pyrimidine

SMILES

CC(CC1)CCN1c(ncnc1)c1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C18H19N5O/c1-13-7-9-23(10-8-13)17-15(11-19-12-20-17)18-21-16(22-24-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3

InChI Key

KNMYHDSMZAQTDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.00

Polar Surface Area

55.310

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S538-0077 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S538-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0077?
Check Price and Availability of S538-0077, 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 S538-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0077
  • 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 S538-0077 available by request