S614-0003 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine

S614-0003 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
S614-0003 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0003
2-{3-[2-(cyclopropylmethoxy)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

S614-0003

Molecular Formula

C13H21N3O2 (C13 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

C(COCC1CC1)c1noc(C2NCCCC2)n1

InChI

InChI=1S/C13H21N3O2/c1-2-7-14-11(3-1)13-15-12(16-18-13)6-8-17-9-10-4-5-10/h10-11,14H,1-9H2/t11-/m0/s1

InChI Key

OSXLNWDFDDOKLY-NSHDSACASA-N

MDL Number (MFCD)

MFCD28897747

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

-0.250

Water Solubility, LogSw

-1.71

Polar Surface Area

53.815

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.60

S614-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S614-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0003?
Check Price and Availability of S614-0003, 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 S614-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0003
  • 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 S614-0003 available by request