S594-0901 Screening compound: 3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,2,4-oxadiazol-5-yl)methoxy]pyridine

S594-0901 Screening compound: 3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,2,4-oxadiazol-5-yl)methoxy]pyridine
S594-0901 Screening compound: 3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,2,4-oxadiazol-5-yl)methoxy]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0901
3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,2,4-oxadiazol-5-yl)methoxy]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

S594-0901

Molecular Formula

C18H22N6O4S (C18 H22 N6 O4 S)

Compound Name

3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-1,2,4-oxadiazol-5-yl)methoxy]pyridine

IUPAC name

3-[(3-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-124-oxadiazol-5-yl)methoxy]pyridine

SMILES

CCn1ncc(S(N(CC2)CCC2c2noc(COc3cnccc3)n2)(=O)=O)c1

InChI

InChI=1S/C18H22N6O4S/c1-2-23-12-16(11-20-23)29(25,26)24-8-5-14(6-9-24)18-21-17(28-22-18)13-27-15-4-3-7-19-10-15/h3-4,7,10-12,14H,2,5-6,8-9,13H2,1H3

InChI Key

WMWBEQJJFYYQPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31963724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-1.67

Polar Surface Area

94.540

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S594-0901 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S594-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0901?
Check Price and Availability of S594-0901, 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 S594-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0901
  • 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 S594-0901 available by request