F571-0498 Screening compound: 2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate

F571-0498 Screening compound: 2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
F571-0498 Screening compound: 2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F571-0498
2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate

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

F571-0498

Molecular Formula

C20H16N4O4S (C20 H16 N4 O4 S)

Compound Name

2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate

IUPAC name

2-(prop-2-en-1-yl)phenyl 2-{[2-(furan-2-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetate

SMILES

C=CCc(cccc1)c1OC(CSC(N1N2)=NC(c3ccco3)=NC1=CC2=O)=O

InChI

InChI=1S/C20H16N4O4S/c1-2-6-13-7-3-4-8-14(13)28-18(26)12-29-20-22-19(15-9-5-10-27-15)21-16-11-17(25)23-24(16)20/h2-5,7-11H,1,6,12H2,(H,23,25)

InChI Key

SEDOEJYTEFGIMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.46

Polar Surface Area

78.652

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F571-0498 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F571-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F571-0498?
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What is the minimum amount of F571-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F571-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F571-0498
  • 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 F571-0498 available by request