S428-0122 Screening compound: 3-bromo-5-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine

S428-0122 Screening compound: 3-bromo-5-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine
S428-0122 Screening compound: 3-bromo-5-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0122
3-bromo-5-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine

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

S428-0122

Molecular Formula

C18H21BrN4O3 (C18 H21 BrN4 O3)

Compound Name

3-bromo-5-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine

IUPAC name

3-bromo-5-{4-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine

SMILES

O=C(c1cc(Br)cnc1)N(CC1)CCC1c1nc(C2CCOCC2)no1

InChI

InChI=1S/C18H21BrN4O3/c19-15-9-14(10-20-11-15)18(24)23-5-1-13(2-6-23)17-21-16(22-26-17)12-3-7-25-8-4-12/h9-13H,1-8H2

InChI Key

NTWZEVSSFVRRHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-2.81

Polar Surface Area

66.001

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S428-0122 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cardiovascular
  • Metabolic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0122?
Check Price and Availability of S428-0122, 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 S428-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0122
  • 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 S428-0122 available by request