8019-8150 Screening compound: ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate

8019-8150 Screening compound: ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate
8019-8150 Screening compound: ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8150
ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate

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

8019-8150

Molecular Formula

C22H18FN5O4S (C22 H18 FN5 O4 S)

Compound Name

ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3H4H-pyrazolo[15-a][135]triazin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(NC(n1nc2)=O)=Nc1c2-c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H18FN5O4S/c1-2-32-20(30)14-5-9-16(10-6-14)25-18(29)12-33-21-26-19-17(11-24-28(19)22(31)27-21)13-3-7-15(23)8-4-13/h3-11H,2,12H2,1H3,(H,25,29)(H,26,27,31)

InChI Key

KYQQUIVMQHROKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.07

Polar Surface Area

91.194

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8019-8150 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with 8019-8150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8150?
Check Price and Availability of 8019-8150, 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 8019-8150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8150
  • 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 8019-8150 available by request