F804-0218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

F804-0218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
F804-0218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0218
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]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

F804-0218

Molecular Formula

C20H21N5O4S (C20 H21 N5 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamide

SMILES

O=C(CN(C1=O)N=C(C=C2)N1N=C2SC1CCCCC1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H21N5O4S/c26-18(21-13-6-7-15-16(10-13)29-12-28-15)11-24-20(27)25-17(22-24)8-9-19(23-25)30-14-4-2-1-3-5-14/h6-10,14H,1-5,11-12H2,(H,21,26)

InChI Key

ZOEHNUMRUKNZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.20

Polar Surface Area

85.633

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F804-0218 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 F804-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0218?
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What is the minimum amount of F804-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0218
  • 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 F804-0218 available by request