F833-1054 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-fluorophenyl)-N~1~-methylacetamide

F833-1054 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-fluorophenyl)-N~1~-methylacetamide
F833-1054 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-fluorophenyl)-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-1054
2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]-N~1~-(4-fluorophenyl)-N~1~-methylacetamide

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

F833-1054

Molecular Formula

C24H21FN6O2 (C24 H21 FN6 O2)

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-fluorophenyl)-N~1~-methylacetamide

IUPAC name

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

SMILES

Cc1cc(-c2nn(C=CN(C3=NN4CC(N(C)c(cc5)ccc5F)=O)C4=O)c3c2)c(C)cc1

InChI

InChI=1S/C24H21FN6O2/c1-15-4-5-16(2)19(12-15)20-13-21-23-27-31(24(33)29(23)10-11-30(21)26-20)14-22(32)28(3)18-8-6-17(25)7-9-18/h4-13H,14H2,1-3H3

InChI Key

GSMRCQTZBRTALL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-2.89

Polar Surface Area

58.432

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F833-1054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F833-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-1054?
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What is the minimum amount of F833-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-1054
  • 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 F833-1054 available by request