S351-0122 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S351-0122 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S351-0122 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S351-0122
5-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-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

S351-0122

Molecular Formula

C21H16FN3O4 (C21 H16 FN3 O4)

Compound Name

5-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

5-[2-(2H-13-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

OC(CN(C=Cn(c1c2)nc2-c(cc2)ccc2F)C1=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H16FN3O4/c22-15-4-1-13(2-5-15)16-10-17-21(27)24(7-8-25(17)23-16)11-18(26)14-3-6-19-20(9-14)29-12-28-19/h1-10,18,26H,11-12H2/t18-/m0/s1

InChI Key

QGEMQAQPDOSGGM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29000370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.84

Polar Surface Area

61.238

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

S351-0122 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S351-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S351-0122?
Check Price and Availability of S351-0122, 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 S351-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S351-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S351-0122
  • 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 S351-0122 available by request