F571-0628 Screening compound: 4-ethylphenyl 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate

F571-0628 Screening compound: 4-ethylphenyl 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
F571-0628 Screening compound: 4-ethylphenyl 2-{[2-(2H-1,3-benzodioxol-5-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 F571-0628
4-ethylphenyl 2-{[2-(2H-1,3-benzodioxol-5-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

F571-0628

Molecular Formula

C22H18N4O5S (C22 H18 N4 O5 S)

Compound Name

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

IUPAC name

4-ethylphenyl 2-{[2-(2H-13-benzodioxol-5-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}acetate

SMILES

CCc(cc1)ccc1OC(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)=O

InChI

InChI=1S/C22H18N4O5S/c1-2-13-3-6-15(7-4-13)31-20(28)11-32-22-24-21(23-18-10-19(27)25-26(18)22)14-5-8-16-17(9-14)30-12-29-16/h3-10H,2,11-12H2,1H3,(H,25,27)

InChI Key

BYPMQTPARJDPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.98

Polar Surface Area

87.103

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F571-0628 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F571-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F571-0628?
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What is the minimum amount of F571-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F571-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F571-0628
  • 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 F571-0628 available by request