8019-8187 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

8019-8187 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
8019-8187 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8187
2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

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

8019-8187

Molecular Formula

C21H19FN6O4S2 (C21 H19 FN6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

NS(c1ccc(CCNC(CSC(NC(n2nc3)=O)=Nc2c3-c(cc2)ccc2F)=O)cc1)(=O)=O

InChI

InChI=1S/C21H19FN6O4S2/c22-15-5-3-14(4-6-15)17-11-25-28-19(17)26-20(27-21(28)30)33-12-18(29)24-10-9-13-1-7-16(8-2-13)34(23,31)32/h1-8,11H,9-10,12H2,(H,24,29)(H2,23,31,32)(H,26,27,30)

InChI Key

XHIHCUMJOJXHNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-2.32

Polar Surface Area

122.207

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8019-8187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8187?
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What is the minimum amount of 8019-8187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8187
  • 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 8019-8187 available by request