F835-0446 Screening compound: 2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0446 Screening compound: 2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0446 Screening compound: 2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F835-0446
2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

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

F835-0446

Molecular Formula

C23H20N6O4S (C23 H20 N6 O4 S)

Compound Name

2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

2-(4-ethoxyphenyl)-7-({[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CCOc(cc1)ccc1-c(cc12)nn1C(SCc1nc(-c(cc3)ccc3OC)no1)=NNC2=O

InChI

InChI=1S/C23H20N6O4S/c1-3-32-17-10-4-14(5-11-17)18-12-19-22(30)25-26-23(29(19)27-18)34-13-20-24-21(28-33-20)15-6-8-16(31-2)9-7-15/h4-12H,3,13H2,1-2H3,(H,25,30)

InChI Key

ZZTUMJCFSRRJSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.61

Polar Surface Area

97.325

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F835-0446 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F835-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0446?
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What is the minimum amount of F835-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0446
  • 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 F835-0446 available by request