G199-0323 Screening compound: 4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-(3-methylphenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-0323 Screening compound: 4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-(3-methylphenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-0323 Screening compound: 4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-(3-methylphenyl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-0323
4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-(3-methylphenyl)-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

G199-0323

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N=C(N2N3)SCCOc(ccc(C)c4)c4OC)=NC2=CC3=O)c1

InChI

InChI=1S/C22H22N4O3S/c1-14-5-4-6-16(11-14)21-23-19-13-20(27)25-26(19)22(24-21)30-10-9-29-17-8-7-15(2)12-18(17)28-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,27)

InChI Key

VOMBTGQPVRWWRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.86

Polar Surface Area

65.068

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G199-0323 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G199-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-0323?
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What is the minimum amount of G199-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-0323
  • 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 G199-0323 available by request