S346-0171 Screening compound: 5-methyl-N~2~-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-thiophenecarboxamide

S346-0171 Screening compound: 5-methyl-N~2~-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-thiophenecarboxamide
S346-0171 Screening compound: 5-methyl-N~2~-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0171
5-methyl-N~2~-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-thiophenecarboxamide

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

S346-0171

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

5-methyl-N~2~-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-thiophenecarboxamide

IUPAC name

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

SMILES

Cc1ccc(C(Nc2cc(-c3nnc4n3CCCC4)ccc2)=O)s1

InChI

InChI=1S/C18H18N4OS/c1-12-8-9-15(24-12)18(23)19-14-6-4-5-13(11-14)17-21-20-16-7-2-3-10-22(16)17/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,19,23)

InChI Key

BUUUWFWWJJUILY-UHFFFAOYSA-N

MDL Number (MFCD)

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

3.764

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-3.84

Polar Surface Area

49.041

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

S346-0171 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S346-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0171?
Check Price and Availability of S346-0171, 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 S346-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0171
  • 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 S346-0171 available by request