F804-1175 Screening compound: N-(2-chloro-4-methylphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide

F804-1175 Screening compound: N-(2-chloro-4-methylphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide
F804-1175 Screening compound: N-(2-chloro-4-methylphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-1175
N-(2-chloro-4-methylphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-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

F804-1175

Molecular Formula

C20H15ClFN5O2S (C20 H15 ClFN5 O2 S)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl}acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CN(C1=O)N=C(C=C2)N1N=C2Sc1cc(F)ccc1)=O

InChI

InChI=1S/C20H15ClFN5O2S/c1-12-5-6-16(15(21)9-12)23-18(28)11-26-20(29)27-17(24-26)7-8-19(25-27)30-14-4-2-3-13(22)10-14/h2-10H,11H2,1H3,(H,23,28)

InChI Key

XSFQLLIEDKCTFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

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

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.48

Polar Surface Area

67.628

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with F804-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-1175?
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What is the minimum amount of F804-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-1175
  • 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 F804-1175 available by request