S346-0025 Screening compound: 3-methyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide

S346-0025 Screening compound: 3-methyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide
S346-0025 Screening compound: 3-methyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0025
3-methyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide

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

S346-0025

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

3-methyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide

IUPAC name

3-methyl-N-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)thiophene-2-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2-c2nnc3n2CCCC3)=O)scc1

InChI

InChI=1S/C18H18N4OS/c1-12-9-11-24-16(12)18(23)19-14-7-5-13(6-8-14)17-21-20-15-4-2-3-10-22(15)17/h5-9,11H,2-4,10H2,1H3,(H,19,23)

InChI Key

XCFKYEMSTYIDIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.37

Polar Surface Area

49.041

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

S346-0025 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S346-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0025?
Check Price and Availability of S346-0025, 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 S346-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0025
  • 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 S346-0025 available by request