S517-1311 Screening compound: N~2~-(2-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N~2~-methyl-2-thiophenesulfonamide

S517-1311 Screening compound: N~2~-(2-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N~2~-methyl-2-thiophenesulfonamide
S517-1311 Screening compound: N~2~-(2-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N~2~-methyl-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1311
N~2~-(2-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N~2~-methyl-2-thiophenesulfonamide

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

S517-1311

Molecular Formula

C18H27N5O3S2 (C18 H27 N5 O3 S2)

Compound Name

N~2~-(2-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N~2~-methyl-2-thiophenesulfonamide

IUPAC name

n/a

SMILES

CC(C)n1c(CC(CC2)CCN2C(CN(C)S(c2cccs2)(=O)=O)=O)nnc1

InChI

InChI=1S/C18H27N5O3S2/c1-14(2)23-13-19-20-16(23)11-15-6-8-22(9-7-15)17(24)12-21(3)28(25,26)18-5-4-10-27-18/h4-5,10,13-15H,6-9,11-12H2,1-3H3

InChI Key

MAJUETHCZAFGBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.379

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-2.32

Polar Surface Area

76.337

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

S517-1311 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S517-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1311?
Check Price and Availability of S517-1311, 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 S517-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1311
  • 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 S517-1311 available by request