F833-1064 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide

F833-1064 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide
F833-1064 Screening compound: 2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-1064
2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]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

F833-1064

Molecular Formula

C25H24N6O2S (C25 H24 N6 O2 S)

Compound Name

2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-[4-(methylsulfanyl)benzyl]acetamide

IUPAC name

2-[11-(25-dimethylphenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

Cc1cc(-c2nn(C=CN(C3=NN4CC(NCc(cc5)ccc5SC)=O)C4=O)c3c2)c(C)cc1

InChI

InChI=1S/C25H24N6O2S/c1-16-4-5-17(2)20(12-16)21-13-22-24-28-31(25(33)29(24)10-11-30(22)27-21)15-23(32)26-14-18-6-8-19(34-3)9-7-18/h4-13H,14-15H2,1-3H3,(H,26,32)

InChI Key

OJKGBWKJRAALEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.80

Polar Surface Area

67.791

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F833-1064 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F833-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-1064?
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What is the minimum amount of F833-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-1064
  • 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 F833-1064 available by request