S517-1549 Screening compound: 3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1-(pyrrolidine-1-sulfonyl)piperidine

S517-1549 Screening compound: 3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1-(pyrrolidine-1-sulfonyl)piperidine
S517-1549 Screening compound: 3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1-(pyrrolidine-1-sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1549
3-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1-(pyrrolidine-1-sulfonyl)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

S517-1549

Molecular Formula

C25H36N6O3S (C25 H36 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1S(N1CCCC1)(=O)=O)N1CCC(Cc2nncn2Cc2ccccc2)CC1

InChI

InChI=1S/C25H36N6O3S/c32-25(23-9-6-14-31(19-23)35(33,34)30-12-4-5-13-30)28-15-10-21(11-16-28)17-24-27-26-20-29(24)18-22-7-2-1-3-8-22/h1-3,7-8,20-21,23H,4-6,9-19H2/t23-/m0/s1

InChI Key

PMAMBGJEDOQACN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29011975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.38

Polar Surface Area

76.364

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

S517-1549 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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
Targets:
  • GPCR
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 S517-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1549?
Check Price and Availability of S517-1549, 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 S517-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1549
  • 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 S517-1549 available by request