F804-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

F804-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
F804-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0171
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(phenylsulfanyl)-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

F804-0171

Molecular Formula

C21H17N5O4S (C21 H17 N5 O4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[3-oxo-6-(phenylsulfanyl)-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamide

SMILES

O=C(CN(C1=O)N=C(C=C2)N1N=C2Sc1ccccc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H17N5O4S/c27-19(22-11-14-6-7-16-17(10-14)30-13-29-16)12-25-21(28)26-18(23-25)8-9-20(24-26)31-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,22,27)

InChI Key

GSIHHQGKCBYZTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.33

Polar Surface Area

86.763

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F804-0171 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F804-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0171?
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What is the minimum amount of F804-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0171
  • 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 F804-0171 available by request