S346-0037 Screening compound: 3-(1H-indol-3-yl)-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide

S346-0037 Screening compound: 3-(1H-indol-3-yl)-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)propanamide
S346-0037 Screening compound: 3-(1H-indol-3-yl)-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 S346-0037
3-(1H-indol-3-yl)-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

S346-0037

Molecular Formula

C23H23N5O (C23 H23 N5 O)

Compound Name

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

IUPAC name

3-(1H-indol-3-yl)-N-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)propanamide

SMILES

O=C(CCc1c[nH]c2c1cccc2)Nc(cc1)ccc1-c1nnc2n1CCCC2

InChI

InChI=1S/C23H23N5O/c29-22(13-10-17-15-24-20-6-2-1-5-19(17)20)25-18-11-8-16(9-12-18)23-27-26-21-7-3-4-14-28(21)23/h1-2,5-6,8-9,11-12,15,24H,3-4,7,10,13-14H2,(H,25,29)

InChI Key

VMOBTWNXHQWTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.45

Polar Surface Area

57.680

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S346-0037 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S346-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0037?
Check Price and Availability of S346-0037, 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 S346-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0037
  • 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 S346-0037 available by request