8019-8139 Screening compound: 8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8019-8139 Screening compound: 8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
8019-8139 Screening compound: 8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8139
8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

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

8019-8139

Molecular Formula

C18H12F2N4OS (C18 H12 F2 N4 OS)

Compound Name

8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

IUPAC name

8-(4-fluorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3H4H-pyrazolo[15-a][135]triazin-4-one

SMILES

O=C(N1)n2ncc(-c(cc3)ccc3F)c2N=C1SCc(cc1)ccc1F

InChI

InChI=1S/C18H12F2N4OS/c19-13-5-1-11(2-6-13)10-26-17-22-16-15(9-21-24(16)18(25)23-17)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,22,23,25)

InChI Key

SJFGLFOZKVGQBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.21

Polar Surface Area

47.291

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8019-8139 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-8139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8139?
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What is the minimum amount of 8019-8139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8139
  • 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 8019-8139 available by request