S346-0032 Screening compound: 2,4-difluoro-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide

S346-0032 Screening compound: 2,4-difluoro-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide
S346-0032 Screening compound: 2,4-difluoro-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0032
2,4-difluoro-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide

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

S346-0032

Molecular Formula

C19H16F2N4O (C19 H16 F2 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(ccc(F)c1)c1F)Nc(cc1)ccc1-c1nnc2n1CCCC2

InChI

InChI=1S/C19H16F2N4O/c20-13-6-9-15(16(21)11-13)19(26)22-14-7-4-12(5-8-14)18-24-23-17-3-1-2-10-25(17)18/h4-9,11H,1-3,10H2,(H,22,26)

InChI Key

SQUVLJUOLRDUIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

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

3.176

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.67

Polar Surface Area

48.023

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S346-0032 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S346-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0032?
Check Price and Availability of S346-0032, 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 S346-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0032
  • 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 S346-0032 available by request