S345-0250 Screening compound: N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)propanamide

S345-0250 Screening compound: N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)propanamide
S345-0250 Screening compound: N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S345-0250
N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-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

S345-0250

Molecular Formula

C14H16N4O (C14 H16 N4 O)

Compound Name

N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)propanamide

IUPAC name

N-(3-{5H6H7H-pyrrolo[21-c][124]triazol-3-yl}phenyl)propanamide

SMILES

CCC(Nc1cc(-c2nnc3n2CCC3)ccc1)=O

InChI

InChI=1S/C14H16N4O/c1-2-13(19)15-11-6-3-5-10(9-11)14-17-16-12-7-4-8-18(12)14/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,19)

InChI Key

IRADAXBDPKLPRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.31

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

1.903

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.62

Polar Surface Area

48.447

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

S345-0250 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S345-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S345-0250?
Check Price and Availability of S345-0250, 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 S345-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S345-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S345-0250
  • 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 S345-0250 available by request