G199-2927 Screening compound: 4-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-2927 Screening compound: 4-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-2927 Screening compound: 4-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-2927
4-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-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

G199-2927

Molecular Formula

C22H19N5O2S (C22 H19 N5 O2 S)

Compound Name

4-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-{[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-2-phenyl-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

O=C(CSC(N1N2)=NC(c3ccccc3)=NC1=CC2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H19N5O2S/c28-19-12-18-23-21(16-7-2-1-3-8-16)24-22(27(18)25-19)30-14-20(29)26-11-10-15-6-4-5-9-17(15)13-26/h1-9,12H,10-11,13-14H2,(H,25,28)

InChI Key

LNVWFFFRRAXLGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.28

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G199-2927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-2927?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-2927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-2927
  • 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 G199-2927 available by request