S346-0204 Screening compound: 3-(3-methoxyphenyl)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide

S346-0204 Screening compound: 3-(3-methoxyphenyl)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide
S346-0204 Screening compound: 3-(3-methoxyphenyl)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0204
3-(3-methoxyphenyl)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide

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

S346-0204

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

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

IUPAC name

3-(3-methoxyphenyl)-N-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)propanamide

SMILES

COc1cccc(CCC(Nc2cc(-c3nnc4n3CCCC4)ccc2)=O)c1

InChI

InChI=1S/C22H24N4O2/c1-28-19-9-4-6-16(14-19)11-12-21(27)23-18-8-5-7-17(15-18)22-25-24-20-10-2-3-13-26(20)22/h4-9,14-15H,2-3,10-13H2,1H3,(H,23,27)

InChI Key

XKLVPTSGWGTEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.72

Polar Surface Area

55.353

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S346-0204 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

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

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S346-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0204?
Check Price and Availability of S346-0204, 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 S346-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0204
  • 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 S346-0204 available by request