S429-1016 Screening compound: N,3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

S429-1016 Screening compound: N,3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
S429-1016 Screening compound: N,3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1016
N,3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

S429-1016

Molecular Formula

C25H27N5O6S (C25 H27 N5 O6 S)

Compound Name

N,3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N3-dimethyl-N-{2-[4-methyl-4-(5-phenyl-124-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CC(CC1)(CCN1C(CN(C)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)c1noc(-c2ccccc2)n1

InChI

InChI=1S/C25H27N5O6S/c1-25(23-26-22(36-27-23)17-7-5-4-6-8-17)11-13-30(14-12-25)21(31)16-28(2)37(33,34)18-9-10-19-20(15-18)35-24(32)29(19)3/h4-10,15H,11-14,16H2,1-3H3

InChI Key

ZMXDSQURINTSCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.00

Polar Surface Area

103.467

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

S429-1016 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S429-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1016
  • 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 S429-1016 available by request