S517-1192 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

S517-1192 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
S517-1192 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1192
N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-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

S517-1192

Molecular Formula

C25H28N6O5S (C25 H28 N6 O5 S)

Compound Name

N,3-dimethyl-2-oxo-N-(2-oxo-2-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

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

SMILES

CN(CC(N1CCC(Cc2nncn2-c2ccccc2)CC1)=O)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C25H28N6O5S/c1-28(37(34,35)20-8-9-21-22(15-20)36-25(33)29(21)2)16-24(32)30-12-10-18(11-13-30)14-23-27-26-17-31(23)19-6-4-3-5-7-19/h3-9,15,17-18H,10-14,16H2,1-2H3

InChI Key

ZLMLSUFCPYNBPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.70

Polar Surface Area

97.581

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

S517-1192 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S517-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1192?
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What is the minimum amount of S517-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1192
  • 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 S517-1192 available by request