S556-0380 Screening compound: 4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-5-yl]pyridine

S556-0380 Screening compound: 4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-5-yl]pyridine
S556-0380 Screening compound: 4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S556-0380
4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-5-yl]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

S556-0380

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

4-[3-(4-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxy}phenyl)-124-oxadiazol-5-yl]pyridine

SMILES

CCn1nccc1C(N(C1)CC1Oc(cc1)ccc1-c1noc(-c2ccncc2)n1)=O

InChI

InChI=1S/C22H20N6O3/c1-2-28-19(9-12-24-28)22(29)27-13-18(14-27)30-17-5-3-15(4-6-17)20-25-21(31-26-20)16-7-10-23-11-8-16/h3-12,18H,2,13-14H2,1H3

InChI Key

GSOQUXOBXHGQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31961351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.16

Polar Surface Area

77.269

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

S556-0380 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 S556-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S556-0380?
Check Price and Availability of S556-0380, 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 S556-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S556-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S556-0380
  • 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 S556-0380 available by request