S903-0828 Screening compound: 1-(propane-2-sulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine

S903-0828 Screening compound: 1-(propane-2-sulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine
S903-0828 Screening compound: 1-(propane-2-sulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S903-0828
1-(propane-2-sulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}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

S903-0828

Molecular Formula

C13H23N5O2S (C13 H23 N5 O2 S)

Compound Name

1-(propane-2-sulfonyl)-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine

IUPAC name

1-(propane-2-sulfonyl)-4-{5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}piperidine

SMILES

CC(C)S(N(CC1)CCC1c1nnc2n1CCNC2)(=O)=O

InChI

InChI=1S/C13H23N5O2S/c1-10(2)21(19,20)17-6-3-11(4-7-17)13-16-15-12-9-14-5-8-18(12)13/h10-11,14H,3-9H2,1-2H3

InChI Key

UKVGLWDXVWUMKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228610

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

313.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.039

Distribution Coefficient, logD

-0.416

Water Solubility, LogSw

-1.73

Polar Surface Area

68.806

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.61

S903-0828 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S903-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0828?
Check Price and Availability of S903-0828, 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 S903-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0828
  • 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 S903-0828 available by request