S902-0812 Screening compound: 1-(2-{7-[(5-chloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone

S902-0812 Screening compound: 1-(2-{7-[(5-chloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone
S902-0812 Screening compound: 1-(2-{7-[(5-chloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-0812
1-(2-{7-[(5-chloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone

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

S902-0812

Molecular Formula

C17H22ClN5O3S2 (C17 H22 ClN5 O3 S2)

Compound Name

1-(2-{7-[(5-chloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone

IUPAC name

1-(2-{7-[(5-chlorothiophen-2-yl)sulfonyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}piperidin-1-yl)propan-1-one

SMILES

CCC(N(CCCC1)C1c1nnc(C2)n1CCN2S(c(s1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C17H22ClN5O3S2/c1-2-15(24)22-8-4-3-5-12(22)17-20-19-14-11-21(9-10-23(14)17)28(25,26)16-7-6-13(18)27-16/h6-7,12H,2-5,8-11H2,1H3/t12-/m0/s1

InChI Key

RZEBGHVIYIXRKN-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.98

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

1.780

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.78

Polar Surface Area

73.489

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S902-0812 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S902-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-0812?
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What is the minimum amount of S902-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-0812
  • 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 S902-0812 available by request