G199-2063 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

G199-2063 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
G199-2063 Screening compound: 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-2063
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

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

G199-2063

Molecular Formula

C21H17N5O4S (C21 H17 N5 O4 S)

Compound Name

2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

IUPAC name

2-{[2-(2H-13-benzodioxol-5-yl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

SMILES

CN(C(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)=O)c1ccccc1

InChI

InChI=1S/C21H17N5O4S/c1-25(14-5-3-2-4-6-14)19(28)11-31-21-23-20(22-17-10-18(27)24-26(17)21)13-7-8-15-16(9-13)30-12-29-15/h2-10H,11-12H2,1H3,(H,24,27)

InChI Key

KVQNIHJCQPTFMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.77

Polar Surface Area

82.162

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G199-2063 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G199-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-2063?
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What is the minimum amount of G199-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-2063
  • 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 G199-2063 available by request