F833-1039 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

F833-1039 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
F833-1039 Screening compound: N~1~-(2-chloro-4-fluorophenyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-1039
N~1~-(2-chloro-4-fluorophenyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-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

F833-1039

Molecular Formula

C23H18ClFN6O2 (C23 H18 ClFN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(-c2nn(C=CN(C3=NN4CC(Nc(ccc(F)c5)c5Cl)=O)C4=O)c3c2)c(C)cc1

InChI

InChI=1S/C23H18ClFN6O2/c1-13-3-4-14(2)16(9-13)19-11-20-22-28-31(23(33)29(22)7-8-30(20)27-19)12-21(32)26-18-6-5-15(25)10-17(18)24/h3-11H,12H2,1-2H3,(H,26,32)

InChI Key

RKHYVWLHVAIGFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.07

Polar Surface Area

65.771

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F833-1039 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 F833-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-1039?
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What is the minimum amount of F833-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-1039
  • 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 F833-1039 available by request