F833-0552 Screening compound: N~1~-(sec-butyl)-2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide

F833-0552 Screening compound: N~1~-(sec-butyl)-2-[9-(4-fluorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
F833-0552 Screening compound: N~1~-(sec-butyl)-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 F833-0552
N~1~-(sec-butyl)-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

F833-0552

Molecular Formula

C19H19FN6O2 (C19 H19 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CN1N=C(c2cc(-c(cc3)ccc3F)nn2C=C2)N2C1=O)=O

InChI

InChI=1S/C19H19FN6O2/c1-3-12(2)21-17(27)11-26-19(28)24-8-9-25-16(18(24)23-26)10-15(22-25)13-4-6-14(20)7-5-13/h4-10,12H,3,11H2,1-2H3,(H,21,27)/t12-/m0/s1

InChI Key

AGLVPBAZHSKDHN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27197548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.857

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-2.45

Polar Surface Area

67.504

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

F833-0552 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 F833-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0552?
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What is the minimum amount of F833-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0552
  • 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 F833-0552 available by request