S594-0144 Screening compound: 4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

S594-0144 Screening compound: 4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine
S594-0144 Screening compound: 4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0144
4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

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

S594-0144

Molecular Formula

C18H25N3O5S (C18 H25 N3 O5 S)

Compound Name

4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

IUPAC name

4-{5-[(2-methoxyethoxy)methyl]-124-oxadiazol-3-yl}-1-phenylmethanesulfonylpiperidine

SMILES

COCCOCc1nc(C(CC2)CCN2S(Cc2ccccc2)(=O)=O)no1

InChI

InChI=1S/C18H25N3O5S/c1-24-11-12-25-13-17-19-18(20-26-17)16-7-9-21(10-8-16)27(22,23)14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3

InChI Key

WEPGPCMMECPAOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31984079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-2.06

Polar Surface Area

79.882

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S594-0144 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S594-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0144?
Check Price and Availability of S594-0144, 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 S594-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0144
  • 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 S594-0144 available by request