G199-3390 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

G199-3390 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
G199-3390 Screening compound: 2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-3390
2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

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

G199-3390

Molecular Formula

C21H16F3N5O3S (C21 H16 F3 N5 O3 S)

Compound Name

2-{[2-(4-methoxyphenyl)-7-oxo-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[2-(4-methoxyphenyl)-7-oxo-6H7H-pyrazolo[15-a][135]triazin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

COc(cc1)ccc1C(N=C(N1N2)SCC(Nc3c(C(F)(F)F)cccc3)=O)=NC1=CC2=O

InChI

InChI=1S/C21H16F3N5O3S/c1-32-13-8-6-12(7-9-13)19-26-16-10-17(30)28-29(16)20(27-19)33-11-18(31)25-15-5-3-2-4-14(15)21(22,23)24/h2-10H,11H2,1H3,(H,25,31)(H,28,30)

InChI Key

HTHWOZWCJIACNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.74

Polar Surface Area

79.928

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G199-3390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-3390?
Check Price and Availability of G199-3390, 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 G199-3390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-3390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-3390
  • 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 G199-3390 available by request