S614-0866 Screening compound: 1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine

S614-0866 Screening compound: 1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
S614-0866 Screening compound: 1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0866
1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}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

S614-0866

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine

IUPAC name

1-cyclopentanecarbonyl-2-{3-[2-(cyclopentylmethoxy)ethyl]-124-oxadiazol-5-yl}piperidine

SMILES

O=C(C1CCCC1)N(CCCC1)C1c1nc(CCOCC2CCCC2)no1

InChI

InChI=1S/C21H33N3O3/c25-21(17-9-3-4-10-17)24-13-6-5-11-18(24)20-22-19(23-27-20)12-14-26-15-16-7-1-2-8-16/h16-18H,1-15H2/t18-/m0/s1

InChI Key

WHWWSAHQOWQRCD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31981909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.06

Polar Surface Area

58.446

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

S614-0866 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 S614-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0866?
Check Price and Availability of S614-0866, 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 S614-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0866
  • 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 S614-0866 available by request