S554-0514 Screening compound: 2-cyclohexyl-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide

S554-0514 Screening compound: 2-cyclohexyl-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide
S554-0514 Screening compound: 2-cyclohexyl-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 S554-0514
2-cyclohexyl-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

S554-0514

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(CC1CCCCC1)=O

InChI

InChI=1S/C21H25N5O/c1-15-7-9-17(10-8-15)18-11-12-19-23-24-20(26(19)25-18)14-22-21(27)13-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H,22,27)

InChI Key

KGUDVBLWZXKBCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

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

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-3.96

Polar Surface Area

57.765

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

S554-0514 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S554-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0514?
Check Price and Availability of S554-0514, 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 S554-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0514
  • 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 S554-0514 available by request