S351-0111 Screening compound: 5-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL]-2-[4-(PROPAN-2-YL)PHENYL]-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE

S351-0111 Screening compound: 5-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL]-2-[4-(PROPAN-2-YL)PHENYL]-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE
S351-0111 Screening compound: 5-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL]-2-[4-(PROPAN-2-YL)PHENYL]-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S351-0111
5-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL]-2-[4-(PROPAN-2-YL)PHENYL]-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

S351-0111

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

5-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXYETHYL]-2-[4-(PROPAN-2-YL)PHENYL]-4H,5H-PYRAZOLO[1,5-A]PYRAZIN-4-ONE

IUPAC name

n/a

SMILES

CC(C)c(cc1)ccc1-c1nn(C=CN(CC(c(cc(cc2)OC)c2OC)O)C2=O)c2c1

InChI

InChI=1S/C25H27N3O4/c1-16(2)17-5-7-18(8-6-17)21-14-22-25(30)27(11-12-28(22)26-21)15-23(29)20-13-19(31-3)9-10-24(20)32-4/h5-14,16,23,29H,15H2,1-4H3/t23-/m0/s1

InChI Key

XMJXOCOGHKWAPK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29000369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.05

Polar Surface Area

59.297

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

S351-0111 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S351-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S351-0111?
Check Price and Availability of S351-0111, 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 S351-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S351-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S351-0111
  • 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 S351-0111 available by request