S517-0205 Screening compound: 2-(1H-INDOL-3-YL)-1-{4-[(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]PIPERIDINO}-1-ETHANONE

S517-0205 Screening compound: 2-(1H-INDOL-3-YL)-1-{4-[(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]PIPERIDINO}-1-ETHANONE
S517-0205 Screening compound: 2-(1H-INDOL-3-YL)-1-{4-[(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]PIPERIDINO}-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-0205
2-(1H-INDOL-3-YL)-1-{4-[(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]PIPERIDINO}-1-ETHANONE

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

S517-0205

Molecular Formula

C24H25N5O (C24 H25 N5 O)

Compound Name

2-(1H-INDOL-3-YL)-1-{4-[(4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]PIPERIDINO}-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(Cc1c[nH]c2c1cccc2)N1CCC(Cc2nncn2-c2ccccc2)CC1

InChI

InChI=1S/C24H25N5O/c30-24(15-19-16-25-22-9-5-4-8-21(19)22)28-12-10-18(11-13-28)14-23-27-26-17-29(23)20-6-2-1-3-7-20/h1-9,16-18,25H,10-15H2

InChI Key

XUWAGLVAXWFDHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.35

Polar Surface Area

51.750

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

S517-0205 in Drug Discovery

Included in Screening Libraries

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:
  • 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 S517-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-0205?
Check Price and Availability of S517-0205, 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 S517-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-0205
  • 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 S517-0205 available by request