S346-0089 Screening compound: 3-cyclopentyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide

S346-0089 Screening compound: 3-cyclopentyl-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide
S346-0089 Screening compound: 3-cyclopentyl-N-(4-{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 S346-0089
3-cyclopentyl-N-(4-{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

S346-0089

Molecular Formula

C20H26N4O (C20 H26 N4 O)

Compound Name

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

IUPAC name

3-cyclopentyl-N-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)propanamide

SMILES

O=C(CCC1CCCC1)Nc(cc1)ccc1-c1nnc2n1CCCC2

InChI

InChI=1S/C20H26N4O/c25-19(13-8-15-5-1-2-6-15)21-17-11-9-16(10-12-17)20-23-22-18-7-3-4-14-24(18)20/h9-12,15H,1-8,13-14H2,(H,21,25)

InChI Key

ACBBERAIOMRUDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.69

Polar Surface Area

48.368

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S346-0089 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S346-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0089?
Check Price and Availability of S346-0089, 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 S346-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0089
  • 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 S346-0089 available by request