G825-0332 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

G825-0332 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
G825-0332 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G825-0332
2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-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

G825-0332

Molecular Formula

C21H14F3N3O3 (C21 H14 F3 N3 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

O=C(c1c2)N(Cc3cccc(C(F)(F)F)c3)C=Cn1nc2-c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H14F3N3O3/c22-21(23,24)15-3-1-2-13(8-15)11-26-6-7-27-17(20(26)28)10-16(25-27)14-4-5-18-19(9-14)30-12-29-18/h1-10H,11-12H2

InChI Key

NOBBSFGMIYKKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20738712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.58

Polar Surface Area

45.086

Acid Dissociation Constant (pKa)

29.04

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G825-0332 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G825-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G825-0332?
Check Price and Availability of G825-0332, 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 G825-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G825-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G825-0332
  • 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 G825-0332 available by request