S902-1148 Screening compound: 2-(1-azepanyl)-1-[3-[1-(methylsulfonyl)-2-piperidyl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone

S902-1148 Screening compound: 2-(1-azepanyl)-1-[3-[1-(methylsulfonyl)-2-piperidyl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
S902-1148 Screening compound: 2-(1-azepanyl)-1-[3-[1-(methylsulfonyl)-2-piperidyl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-1148
2-(1-azepanyl)-1-[3-[1-(methylsulfonyl)-2-piperidyl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-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

S902-1148

Molecular Formula

C19H32N6O3S (C19 H32 N6 O3 S)

Compound Name

2-(1-azepanyl)-1-[3-[1-(methylsulfonyl)-2-piperidyl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone

IUPAC name

2-(azepan-1-yl)-1-[3-(1-methanesulfonylpiperidin-2-yl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl]ethan-1-one

SMILES

CS(N(CCCC1)C1c1nnc(C2)n1CCN2C(CN1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C19H32N6O3S/c1-29(27,28)25-11-7-4-8-16(25)19-21-20-17-14-23(12-13-24(17)19)18(26)15-22-9-5-2-3-6-10-22/h16H,2-15H2,1H3/t16-/m0/s1

InChI Key

ORBQJZOTNSGYPX-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.221

Distribution Coefficient, logD

0.195

Water Solubility, LogSw

-1.31

Polar Surface Area

77.075

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.21

S902-1148 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S902-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1148?
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What is the minimum amount of S902-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1148
  • 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 S902-1148 available by request