S614-0100 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine

S614-0100 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine
S614-0100 Screening compound: 2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0100
2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)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

S614-0100

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine

IUPAC name

2-{3-[2-(benzyloxy)ethyl]-124-oxadiazol-5-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine

SMILES

Cn1nccc1C(N(CCCC1)C1c1nc(CCOCc2ccccc2)no1)=O

InChI

InChI=1S/C21H25N5O3/c1-25-18(10-12-22-25)21(27)26-13-6-5-9-17(26)20-23-19(24-29-20)11-14-28-15-16-7-3-2-4-8-16/h2-4,7-8,10,12,17H,5-6,9,11,13-15H2,1H3/t17-/m0/s1

InChI Key

MLOVPDTXSPDOFS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31973931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.30

Polar Surface Area

70.980

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S614-0100 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S614-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0100?
Check Price and Availability of S614-0100, 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 S614-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0100
  • 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 S614-0100 available by request