S585-1322 Screening compound: 7-(ethylsulfonyl)-3-[1-(4-pyridylmethyl)-3-piperidyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

S585-1322 Screening compound: 7-(ethylsulfonyl)-3-[1-(4-pyridylmethyl)-3-piperidyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
S585-1322 Screening compound: 7-(ethylsulfonyl)-3-[1-(4-pyridylmethyl)-3-piperidyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-1322
7-(ethylsulfonyl)-3-[1-(4-pyridylmethyl)-3-piperidyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

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

S585-1322

Molecular Formula

C18H26N6O2S (C18 H26 N6 O2 S)

Compound Name

7-(ethylsulfonyl)-3-[1-(4-pyridylmethyl)-3-piperidyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

IUPAC name

4-({3-[7-(ethanesulfonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]piperidin-1-yl}methyl)pyridine

SMILES

CCS(N1Cc2nnc(C3CN(Cc4ccncc4)CCC3)n2CC1)(=O)=O

InChI

InChI=1S/C18H26N6O2S/c1-2-27(25,26)23-10-11-24-17(14-23)20-21-18(24)16-4-3-9-22(13-16)12-15-5-7-19-8-6-15/h5-8,16H,2-4,9-14H2,1H3/t16-/m0/s1

InChI Key

UKCSEGVXPSJVRN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31953860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.251

Distribution Coefficient, logD

-0.640

Water Solubility, LogSw

-1.61

Polar Surface Area

69.644

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S585-1322 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S585-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-1322?
Check Price and Availability of S585-1322, 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 S585-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-1322
  • 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 S585-1322 available by request