S554-0729 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide

S554-0729 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide
S554-0729 Screening compound: N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0729
N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide

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

S554-0729

Molecular Formula

C19H18N6O2 (C19 H18 N6 O2)

Compound Name

N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide

IUPAC name

N-{[6-(4-methoxyphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(NCc2nnc(cc3)n2nc3-c(cc2)ccc2OC)=O)ccc1

InChI

InChI=1S/C19H18N6O2/c1-24-11-3-4-16(24)19(26)20-12-18-22-21-17-10-9-15(23-25(17)18)13-5-7-14(27-2)8-6-13/h3-11H,12H2,1-2H3,(H,20,26)

InChI Key

UHIOUSXRZQPINU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-2.77

Polar Surface Area

67.747

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

S554-0729 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S554-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0729?
Check Price and Availability of S554-0729, 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 S554-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0729
  • 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 S554-0729 available by request