S614-0728 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-[(3,4-difluorophenyl)methyl]piperidine

S614-0728 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-[(3,4-difluorophenyl)methyl]piperidine
S614-0728 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-[(3,4-difluorophenyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0728
2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-[(3,4-difluorophenyl)methyl]piperidine

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

S614-0728

Molecular Formula

C20H25F2N3O2 (C20 H25 F2 N3 O2)

Compound Name

2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-[(3,4-difluorophenyl)methyl]piperidine

IUPAC name

2-{3-[2-(cyclopropylmethoxy)ethyl]-124-oxadiazol-5-yl}-1-[(34-difluorophenyl)methyl]piperidine

SMILES

Fc(ccc(CN(CCCC1)C1c1nc(CCOCC2CC2)no1)c1)c1F

InChI

InChI=1S/C20H25F2N3O2/c21-16-7-6-15(11-17(16)22)12-25-9-2-1-3-18(25)20-23-19(24-27-20)8-10-26-13-14-4-5-14/h6-7,11,14,18H,1-5,8-10,12-13H2/t18-/m0/s1

InChI Key

FYPDERGERPKGIM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31975934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.11

Polar Surface Area

45.103

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S614-0728 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S614-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0728?
Check Price and Availability of S614-0728, 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 S614-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0728
  • 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 S614-0728 available by request