S614-0469 Screening compound: 4-(2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)pyridine

S614-0469 Screening compound: 4-(2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)pyridine
S614-0469 Screening compound: 4-(2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0469
4-(2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)pyridine

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

S614-0469

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

4-(2-{3-[2-(3-methylphenoxy)ethyl]-124-oxadiazol-5-yl}piperidine-1-carbonyl)pyridine

SMILES

Cc1cccc(OCCc2noc(C(CCCC3)N3C(c3ccncc3)=O)n2)c1

InChI

InChI=1S/C22H24N4O3/c1-16-5-4-6-18(15-16)28-14-10-20-24-21(29-25-20)19-7-2-3-13-26(19)22(27)17-8-11-23-12-9-17/h4-6,8-9,11-12,15,19H,2-3,7,10,13-14H2,1H3/t19-/m0/s1

InChI Key

UQXCCOXFTXJPBP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31988419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.40

Polar Surface Area

65.823

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S614-0469 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 S614-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0469?
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What is the minimum amount of S614-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0469
  • 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 S614-0469 available by request