F571-0228 Screening compound: 4-(2-methylbutan-2-yl)phenyl 2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate

F571-0228 Screening compound: 4-(2-methylbutan-2-yl)phenyl 2-{[2-(4-chlorophenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
F571-0228 Screening compound: 4-(2-methylbutan-2-yl)phenyl 2-{[2-(4-chlorophenyl)-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 F571-0228
4-(2-methylbutan-2-yl)phenyl 2-{[2-(4-chlorophenyl)-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

F571-0228

Molecular Formula

C24H23ClN4O3S (C24 H23 ClN4 O3 S)

Compound Name

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

IUPAC name

4-(2-methylbutan-2-yl)phenyl 2-{[2-(4-chlorophenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetate

SMILES

CCC(C)(C)c(cc1)ccc1OC(CSC(N1N2)=NC(c(cc3)ccc3Cl)=NC1=CC2=O)=O

InChI

InChI=1S/C24H23ClN4O3S/c1-4-24(2,3)16-7-11-18(12-8-16)32-21(31)14-33-23-27-22(15-5-9-17(25)10-6-15)26-19-13-20(30)28-29(19)23/h5-13H,4,14H2,1-3H3,(H,28,30)

InChI Key

HTXROJXMEKIMAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.98

Polar Surface Area

69.987

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F571-0228 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F571-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F571-0228?
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What is the minimum amount of F571-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F571-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F571-0228
  • 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 F571-0228 available by request