S903-0002 Screening compound: 1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine

S903-0002 Screening compound: 1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine
S903-0002 Screening compound: 1-methyl-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 S903-0002
1-methyl-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

S903-0002

Molecular Formula

C11H19N5 (C11 H19 N5)

Compound Name

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

IUPAC name

1-methyl-4-{5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}piperidine

SMILES

CN(CC1)CCC1c1nnc2n1CCNC2

InChI

InChI=1S/C11H19N5/c1-15-5-2-9(3-6-15)11-14-13-10-8-12-4-7-16(10)11/h9,12H,2-8H2,1H3

InChI Key

KVZSJMHXRPRPMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25370746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.752

Distribution Coefficient, logD

-3.209

Water Solubility, LogSw

-0.36

Polar Surface Area

40.492

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

S903-0002 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with S903-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0002?
Check Price and Availability of S903-0002, 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 S903-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0002
  • 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 S903-0002 available by request