S426-0654 Screening compound: 1-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one

S426-0654 Screening compound: 1-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one
S426-0654 Screening compound: 1-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S426-0654
1-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one

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

S426-0654

Molecular Formula

C17H20FN3O4 (C17 H20 FN3 O4)

Compound Name

1-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one

IUPAC name

1-(3-{5-[(2-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)-2-methoxyethan-1-one

SMILES

COCC(N(CCC1)CC1c1noc(COc(cccc2)c2F)n1)=O

InChI

InChI=1S/C17H20FN3O4/c1-23-11-16(22)21-8-4-5-12(9-21)17-19-15(25-20-17)10-24-14-7-3-2-6-13(14)18/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m0/s1

InChI Key

QBFVHDWPFYHKOJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29005392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-1.90

Polar Surface Area

63.645

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S426-0654 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S426-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S426-0654?
Check Price and Availability of S426-0654, 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 S426-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S426-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S426-0654
  • 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 S426-0654 available by request