S554-0508 Screening compound: 2-(4-chlorophenyl)-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide

S554-0508 Screening compound: 2-(4-chlorophenyl)-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide
S554-0508 Screening compound: 2-(4-chlorophenyl)-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0508
2-(4-chlorophenyl)-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide

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

S554-0508

Molecular Formula

C21H18ClN5O (C21 H18 ClN5 O)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-N-{[6-(4-methylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}acetamide

SMILES

Cc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H18ClN5O/c1-14-2-6-16(7-3-14)18-10-11-19-24-25-20(27(19)26-18)13-23-21(28)12-15-4-8-17(22)9-5-15/h2-11H,12-13H2,1H3,(H,23,28)

InChI Key

MUSAQQDFDMUJSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.96

Polar Surface Area

57.573

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S554-0508 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with S554-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0508?
Check Price and Availability of S554-0508, 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 S554-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0508
  • 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 S554-0508 available by request