S553-0089 Screening compound: 2-(3-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S553-0089 Screening compound: 2-(3-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S553-0089 Screening compound: 2-(3-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0089
2-(3-methoxyphenyl)-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

S553-0089

Molecular Formula

C13H11N3O2 (C13 H11 N3 O2)

Compound Name

2-(3-methoxyphenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-(3-methoxyphenyl)-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

COc1cccc(-c2nn(C=CNC3=O)c3c2)c1

InChI

InChI=1S/C13H11N3O2/c1-18-10-4-2-3-9(7-10)11-8-12-13(17)14-5-6-16(12)15-11/h2-8H,1H3,(H,14,17)

InChI Key

JTAVVTWZTICRFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25953187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.092

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-1.89

Polar Surface Area

44.728

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

S553-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S553-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0089?
Check Price and Availability of S553-0089, 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 S553-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0089
  • 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 S553-0089 available by request