S903-1172 Screening compound: 1-methyl-4-[7-(thiophene-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidine

S903-1172 Screening compound: 1-methyl-4-[7-(thiophene-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidine
S903-1172 Screening compound: 1-methyl-4-[7-(thiophene-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S903-1172
1-methyl-4-[7-(thiophene-3-carbonyl)-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

S903-1172

Molecular Formula

C16H21N5OS (C16 H21 N5 OS)

Compound Name

1-methyl-4-[7-(thiophene-3-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidine

IUPAC name

1-methyl-4-[7-(thiophene-3-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]piperidine

SMILES

CN(CC1)CCC1c1nnc(C2)n1CCN2C(c1cscc1)=O

InChI

InChI=1S/C16H21N5OS/c1-19-5-2-12(3-6-19)15-18-17-14-10-20(7-8-21(14)15)16(22)13-4-9-23-11-13/h4,9,11-12H,2-3,5-8,10H2,1H3

InChI Key

NPUBMTGHOPVPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.306

Distribution Coefficient, logD

-2.152

Water Solubility, LogSw

-1.82

Polar Surface Area

46.008

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

S903-1172 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S903-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-1172?
Check Price and Availability of S903-1172, 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 S903-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-1172
  • 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 S903-1172 available by request