S926-8033 Screening compound: 3,5-dimethyl-4-isoxazolyl (3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidino) sulfone

S926-8033 Screening compound: 3,5-dimethyl-4-isoxazolyl (3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidino) sulfone
S926-8033 Screening compound: 3,5-dimethyl-4-isoxazolyl (3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidino) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S926-8033
3,5-dimethyl-4-isoxazolyl (3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidino) sulfone

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

S926-8033

Molecular Formula

C16H24N4O6S (C16 H24 N4 O6 S)

Compound Name

3,5-dimethyl-4-isoxazolyl (3-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methoxy}piperidino) sulfone

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-{[5-(2-methoxyethyl)-124-oxadiazol-3-yl]methoxy}piperidine

SMILES

Cc1noc(C)c1S(N(CCC1)CC1OCc1noc(CCOC)n1)(=O)=O

InChI

InChI=1S/C16H24N4O6S/c1-11-16(12(2)25-18-11)27(21,22)20-7-4-5-13(9-20)24-10-14-17-15(26-19-14)6-8-23-3/h13H,4-10H2,1-3H3/t13-/m0/s1

InChI Key

PXAFPKGBULQPHV-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.306

Distribution Coefficient, logD

0.306

Water Solubility, LogSw

-1.27

Polar Surface Area

101.610

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S926-8033 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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 S926-8033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S926-8033?
Check Price and Availability of S926-8033, 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 S926-8033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S926-8033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S926-8033
  • 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 S926-8033 available by request