F804-0212 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3,5-dimethoxyphenyl)acetamide

F804-0212 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3,5-dimethoxyphenyl)acetamide
F804-0212 Screening compound: 2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0212
2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3,5-dimethoxyphenyl)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

F804-0212

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

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

IUPAC name

2-[6-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CN(C2=O)N=C(C=C3)N2N=C3SC2CCCCC2)=O)cc(OC)c1

InChI

InChI=1S/C21H25N5O4S/c1-29-15-10-14(11-16(12-15)30-2)22-19(27)13-25-21(28)26-18(23-25)8-9-20(24-26)31-17-6-4-3-5-7-17/h8-12,17H,3-7,13H2,1-2H3,(H,22,27)

InChI Key

HFRAPTQLXNIQOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.18

Polar Surface Area

83.605

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with F804-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0212?
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What is the minimum amount of F804-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0212
  • 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 F804-0212 available by request