F804-0246 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide

F804-0246 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
F804-0246 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0246
2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]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

F804-0246

Molecular Formula

C24H32N6O2S (C24 H32 N6 O2 S)

Compound Name

2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide

IUPAC name

2-[6-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CN(C1=O)N=C(C=C2)N1N=C2SC1CCCCC1)=O

InChI

InChI=1S/C24H32N6O2S/c1-4-28(5-2)18-11-12-20(17(3)15-18)25-22(31)16-29-24(32)30-21(26-29)13-14-23(27-30)33-19-9-7-6-8-10-19/h11-15,19H,4-10,16H2,1-3H3,(H,25,31)

InChI Key

UKWRTIVIUOZDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.58

Polar Surface Area

70.556

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F804-0246 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F804-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0246?
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What is the minimum amount of F804-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0246
  • 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 F804-0246 available by request