F571-0003 Screening compound: 3,4-dimethylphenyl 2-({7-oxo-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl}sulfanyl)acetate

F571-0003 Screening compound: 3,4-dimethylphenyl 2-({7-oxo-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl}sulfanyl)acetate
F571-0003 Screening compound: 3,4-dimethylphenyl 2-({7-oxo-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F571-0003
3,4-dimethylphenyl 2-({7-oxo-2-phenyl-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

F571-0003

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1OC(CSC(N1N2)=NC(c3ccccc3)=NC1=CC2=O)=O

InChI

InChI=1S/C21H18N4O3S/c1-13-8-9-16(10-14(13)2)28-19(27)12-29-21-23-20(15-6-4-3-5-7-15)22-17-11-18(26)24-25(17)21/h3-11H,12H2,1-2H3,(H,24,26)

InChI Key

AMNHURFTKMQRSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27176446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-3.97

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

14.30

F571-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F571-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F571-0003?
Check Price and Availability of F571-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F571-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F571-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F571-0003
  • 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 F571-0003 available by request