F804-1171 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-(2,4,6-trimethylphenyl)acetamide

F804-1171 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-(2,4,6-trimethylphenyl)acetamide
F804-1171 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-1171
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-(2,4,6-trimethylphenyl)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

F804-1171

Molecular Formula

C22H20FN5O2S (C22 H20 FN5 O2 S)

Compound Name

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

IUPAC name

2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CN(C1=O)N=C(C=C2)N1N=C2Sc1cc(F)ccc1)=O

InChI

InChI=1S/C22H20FN5O2S/c1-13-9-14(2)21(15(3)10-13)24-19(29)12-27-22(30)28-18(25-27)7-8-20(26-28)31-17-6-4-5-16(23)11-17/h4-11H,12H2,1-3H3,(H,24,29)

InChI Key

VPQIXUBWZBCZEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

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

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.28

Polar Surface Area

66.930

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with F804-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-1171
  • 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 F804-1171 available by request