F804-0213 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3-fluorophenyl)acetamide

F804-0213 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3-fluorophenyl)acetamide
F804-0213 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0213
2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3-fluorophenyl)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

F804-0213

Molecular Formula

C19H20FN5O2S (C19 H20 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=O)N=C(C=C2)N1N=C2SC1CCCCC1)Nc1cc(F)ccc1

InChI

InChI=1S/C19H20FN5O2S/c20-13-5-4-6-14(11-13)21-17(26)12-24-19(27)25-16(22-24)9-10-18(23-25)28-15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8,12H2,(H,21,26)

InChI Key

KXVARCNGCDEWNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.26

Polar Surface Area

68.518

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with F804-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0213?
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What is the minimum amount of F804-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0213
  • 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 F804-0213 available by request