F833-0499 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

F833-0499 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
F833-0499 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-[9-(4-fluorophenyl)-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 F833-0499
N~1~-(4-bromo-2-fluorophenyl)-2-[9-(4-fluorophenyl)-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

F833-0499

Molecular Formula

C21H13BrF2N6O2 (C21 H13 BrF2 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1N=C(c2cc(-c(cc3)ccc3F)nn2C=C2)N2C1=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C21H13BrF2N6O2/c22-13-3-6-16(15(24)9-13)25-19(31)11-30-21(32)28-7-8-29-18(20(28)27-30)10-17(26-29)12-1-4-14(23)5-2-12/h1-10H,11H2,(H,25,31)

InChI Key

PUDGLXARKCRORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.27

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

3.488

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.73

Polar Surface Area

65.771

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F833-0499 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • 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 F833-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0499?
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What is the minimum amount of F833-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0499
  • 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 F833-0499 available by request