S448-0230 Screening compound: 7-(2,5-DIMETHYLBENZYL)-2-ETHYL-6,7-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3,8(2H,5H)-DIONE

S448-0230 Screening compound: 7-(2,5-DIMETHYLBENZYL)-2-ETHYL-6,7-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3,8(2H,5H)-DIONE
S448-0230 Screening compound: 7-(2,5-DIMETHYLBENZYL)-2-ETHYL-6,7-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3,8(2H,5H)-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S448-0230
7-(2,5-DIMETHYLBENZYL)-2-ETHYL-6,7-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3,8(2H,5H)-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

S448-0230

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

7-(2,5-DIMETHYLBENZYL)-2-ETHYL-6,7-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3,8(2H,5H)-DIONE

IUPAC name

n/a

SMILES

CCN1N=C(C(N(Cc2c(C)ccc(C)c2)CC2)=O)N2C1=O

InChI

InChI=1S/C16H20N4O2/c1-4-20-16(22)19-8-7-18(15(21)14(19)17-20)10-13-9-11(2)5-6-12(13)3/h5-6,9H,4,7-8,10H2,1-3H3

InChI Key

QTPXCDLWRKWQBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30468695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-2.61

Polar Surface Area

48.628

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S448-0230 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein Arginine Methyltransferases Library (27925 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S448-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S448-0230?
Check Price and Availability of S448-0230, 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 S448-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S448-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S448-0230
  • 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 S448-0230 available by request