S346-0111 Screening compound: N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

S346-0111 Screening compound: N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide
S346-0111 Screening compound: N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0111
N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

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

S346-0111

Molecular Formula

C17H20N4O (C17 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCC1)Nc(cc1)ccc1-c1nnc2n1CCCC2

InChI

InChI=1S/C17H20N4O/c22-17(13-4-3-5-13)18-14-9-7-12(8-10-14)16-20-19-15-6-1-2-11-21(15)16/h7-10,13H,1-6,11H2,(H,18,22)

InChI Key

TVHPJIDDDQTUQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

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

1.505

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.98

Polar Surface Area

48.546

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S346-0111 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S346-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0111?
Check Price and Availability of S346-0111, 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 S346-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0111
  • 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 S346-0111 available by request