F833-0584 Screening compound: N~1~-(3-acetylphenyl)-2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

F833-0584 Screening compound: N~1~-(3-acetylphenyl)-2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
F833-0584 Screening compound: N~1~-(3-acetylphenyl)-2-[9-(4-chlorophenyl)-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 F833-0584
N~1~-(3-acetylphenyl)-2-[9-(4-chlorophenyl)-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

F833-0584

Molecular Formula

C23H17ClN6O3 (C23 H17 ClN6 O3)

Compound Name

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

IUPAC name

N-(3-acetylphenyl)-2-[11-(4-chlorophenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]acetamide

SMILES

CC(c1cccc(NC(CN2N=C(c3cc(-c(cc4)ccc4Cl)nn3C=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C23H17ClN6O3/c1-14(31)16-3-2-4-18(11-16)25-21(32)13-30-23(33)28-9-10-29-20(22(28)27-30)12-19(26-29)15-5-7-17(24)8-6-15/h2-12H,13H2,1H3,(H,25,32)

InChI Key

FTOUVFVDLMPVSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.54

Polar Surface Area

80.295

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F833-0584 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 F833-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0584?
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What is the minimum amount of F833-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0584
  • 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 F833-0584 available by request