F804-1133 Screening compound: N-(4-ethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide

F804-1133 Screening compound: N-(4-ethoxyphenyl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide
F804-1133 Screening compound: N-(4-ethoxyphenyl)-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 F804-1133
N-(4-ethoxyphenyl)-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

F804-1133

Molecular Formula

C21H18FN5O3S (C21 H18 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CN(C1=O)N=C(C=C2)N1N=C2Sc1cc(F)ccc1)=O

InChI

InChI=1S/C21H18FN5O3S/c1-2-30-16-8-6-15(7-9-16)23-19(28)13-26-21(29)27-18(24-26)10-11-20(25-27)31-17-5-3-4-14(22)12-17/h3-12H,2,13H2,1H3,(H,23,28)

InChI Key

CHLCPTJRKXAKBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.12

Polar Surface Area

75.449

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F804-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-1133?
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What is the minimum amount of F804-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-1133
  • 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 F804-1133 available by request