S428-1350 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine

S428-1350 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine
S428-1350 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-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

S428-1350

Molecular Formula

C22H31N5O6S (C22 H31 N5 O6 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine

IUPAC name

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

SMILES

Cc1noc(C)c1S(N(CC1)CCC1C(N(CCC1)C1c1nc(C2CCOCC2)no1)=O)(=O)=O

InChI

InChI=1S/C22H31N5O6S/c1-14-19(15(2)32-24-14)34(29,30)26-10-5-17(6-11-26)22(28)27-9-3-4-18(27)21-23-20(25-33-21)16-7-12-31-13-8-16/h16-18H,3-13H2,1-2H3/t18-/m0/s1

InChI Key

IIPHBKCGEYWWHY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29011924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.436

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-1.80

Polar Surface Area

110.202

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

S428-1350 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Immunological Library (6760 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S428-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1350?
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What is the minimum amount of S428-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1350
  • 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 S428-1350 available by request