S517-1547 Screening compound: 4-[(4-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine

S517-1547 Screening compound: 4-[(4-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine
S517-1547 Screening compound: 4-[(4-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1547
4-[(4-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine

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

S517-1547

Molecular Formula

C25H36N6O4S (C25 H36 N6 O4 S)

Compound Name

4-[(4-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine

IUPAC name

4-[(4-{4-[(4-benzyl-4H-124-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine

SMILES

O=C(C(CC1)CCN1S(N1CCOCC1)(=O)=O)N1CCC(Cc2nncn2Cc2ccccc2)CC1

InChI

InChI=1S/C25H36N6O4S/c32-25(23-8-12-30(13-9-23)36(33,34)31-14-16-35-17-15-31)28-10-6-21(7-11-28)18-24-27-26-20-29(24)19-22-4-2-1-3-5-22/h1-5,20-21,23H,6-19H2

InChI Key

ZAZWYVXPDPUUCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.182

Distribution Coefficient, logD

1.182

Water Solubility, LogSw

-2.25

Polar Surface Area

83.973

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

S517-1547 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S517-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1547?
Check Price and Availability of S517-1547, 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 S517-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1547
  • 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 S517-1547 available by request