G199-0997 Screening compound: 2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-0997 Screening compound: 2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-0997 Screening compound: 2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0997
2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-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

G199-0997

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

C=CCc(cccc1)c1OCCSC(N1N2)=NC(c(cccc3)c3F)=NC1=CC2=O

InChI

InChI=1S/C22H19FN4O2S/c1-2-7-15-8-3-6-11-18(15)29-12-13-30-22-25-21(16-9-4-5-10-17(16)23)24-19-14-20(28)26-27(19)22/h2-6,8-11,14H,1,7,12-13H2,(H,26,28)

InChI Key

JJLQUEPPNVDIOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.51

Polar Surface Area

57.437

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G199-0997 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G199-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G199-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0997
  • 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 G199-0997 available by request