S554-0621 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1H-pyrazole-3-carboxamide

S554-0621 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1H-pyrazole-3-carboxamide
S554-0621 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0621
N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1H-pyrazole-3-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

S554-0621

Molecular Formula

C17H15N7O (C17 H15 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(c1n[nH]cc1)=O

InChI

InChI=1S/C17H15N7O/c1-11-2-4-12(5-3-11)13-6-7-15-21-22-16(24(15)23-13)10-18-17(25)14-8-9-19-20-14/h2-9H,10H2,1H3,(H,18,25)(H,19,20)

InChI Key

OWISIFBXYRGQJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.711

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.14

Polar Surface Area

81.388

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

S554-0621 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S554-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0621?
Check Price and Availability of S554-0621, 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 S554-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0621
  • 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 S554-0621 available by request