G199-2072 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-phenylacetamide

G199-2072 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-phenylacetamide
G199-2072 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-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-2072
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-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

G199-2072

Molecular Formula

C20H15N5O4S (C20 H15 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-phenylacetamide

IUPAC name

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

SMILES

O=C(CSC(N1N2)=NC(c(cc3)cc4c3OCO4)=NC1=CC2=O)Nc1ccccc1

InChI

InChI=1S/C20H15N5O4S/c26-17-9-16-22-19(12-6-7-14-15(8-12)29-11-28-14)23-20(25(16)24-17)30-10-18(27)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,27)(H,24,26)

InChI Key

ZRSVNJYBJWEREA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

2.428

Water Solubility, LogSw

-2.97

Polar Surface Area

90.198

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G199-2072 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G199-2072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-2072?
Check Price and Availability of G199-2072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G199-2072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-2072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-2072
  • 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 G199-2072 available by request