S448-0139 Screening compound: 2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

S448-0139 Screening compound: 2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
S448-0139 Screening compound: 2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S448-0139
2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

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

S448-0139

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

IUPAC name

2-[2-(4-methoxyphenyl)ethyl]-7-[(2-methylphenyl)methyl]-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazine-38-dione

SMILES

Cc1c(CN(CCN(C2=NN3CCc(cc4)ccc4OC)C3=O)C2=O)cccc1

InChI

InChI=1S/C22H24N4O3/c1-16-5-3-4-6-18(16)15-24-13-14-25-20(21(24)27)23-26(22(25)28)12-11-17-7-9-19(29-2)10-8-17/h3-10H,11-15H2,1-2H3

InChI Key

DBPDIJXRHOZUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.79

Polar Surface Area

56.154

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S448-0139 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S448-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S448-0139?
Check Price and Availability of S448-0139, 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 S448-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S448-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S448-0139
  • 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 S448-0139 available by request