G199-1930 Screening compound: 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-1930 Screening compound: 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-1930 Screening compound: 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-1930
4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-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

G199-1930

Molecular Formula

C18H15ClN4O2S2 (C18 H15 ClN4 O2 S2)

Compound Name

4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(thiophen-2-yl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

Cc(ccc(OCCSC(N1N2)=NC(c3cccs3)=NC1=CC2=O)c1)c1Cl

InChI

InChI=1S/C18H15ClN4O2S2/c1-11-4-5-12(9-13(11)19)25-6-8-27-18-21-17(14-3-2-7-26-14)20-15-10-16(24)22-23(15)18/h2-5,7,9-10H,6,8H2,1H3,(H,22,24)

InChI Key

UVEPBEQRCAHYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.48

Polar Surface Area

58.369

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G199-1930 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 G199-1930 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G199-1930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-1930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-1930
  • 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 G199-1930 available by request