S538-0449 Screening compound: 1'-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-1,4'-bipiperidine

S538-0449 Screening compound: 1'-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-1,4'-bipiperidine
S538-0449 Screening compound: 1'-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0449
1'-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-1,4'-bipiperidine

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

S538-0449

Molecular Formula

C22H26N6O (C22 H26 N6 O)

Compound Name

1'-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-1,4'-bipiperidine

IUPAC name

1'-[5-(3-phenyl-124-oxadiazol-5-yl)pyrimidin-4-yl]-14'-bipiperidine

SMILES

C(CC1)CCN1C(CC1)CCN1c(ncnc1)c1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C22H26N6O/c1-3-7-17(8-4-1)20-25-22(29-26-20)19-15-23-16-24-21(19)28-13-9-18(10-14-28)27-11-5-2-6-12-27/h1,3-4,7-8,15-16,18H,2,5-6,9-14H2

InChI Key

KJKHEUQOOVXTRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-4.10

Polar Surface Area

58.403

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

S538-0449 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S538-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0449?
Check Price and Availability of S538-0449, 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 S538-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0449
  • 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 S538-0449 available by request