S975-0521 Screening compound: 7-BENZYL-8-[(1H-INDOL-6-YL)METHYL]-2-(2-METHOXYETHYL)-OCTAHYDRO-1H-[1,4]DIAZINO[1,2-A]PYRAZINE-1,6-DIONE

S975-0521 Screening compound: 7-BENZYL-8-[(1H-INDOL-6-YL)METHYL]-2-(2-METHOXYETHYL)-OCTAHYDRO-1H-[1,4]DIAZINO[1,2-A]PYRAZINE-1,6-DIONE
S975-0521 Screening compound: 7-BENZYL-8-[(1H-INDOL-6-YL)METHYL]-2-(2-METHOXYETHYL)-OCTAHYDRO-1H-[1,4]DIAZINO[1,2-A]PYRAZINE-1,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S975-0521
7-BENZYL-8-[(1H-INDOL-6-YL)METHYL]-2-(2-METHOXYETHYL)-OCTAHYDRO-1H-[1,4]DIAZINO[1,2-A]PYRAZINE-1,6-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

S975-0521

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

7-BENZYL-8-[(1H-INDOL-6-YL)METHYL]-2-(2-METHOXYETHYL)-OCTAHYDRO-1H-[1,4]DIAZINO[1,2-A]PYRAZINE-1,6-DIONE

IUPAC name

(7S9aS)-7-benzyl-8-[(1H-indol-6-yl)methyl]-2-(2-methoxyethyl)-octahydro-1H-[14]diazino[12-a]pyrazine-16-dione

SMILES

COCCN(CCN([C@H]1CN(Cc2cc([nH]cc3)c3cc2)[C@H]2Cc3ccccc3)C2=O)C1=O

InChI

InChI=1S/C26H30N4O3/c1-33-14-13-28-11-12-30-24(25(28)31)18-29(17-20-7-8-21-9-10-27-22(21)15-20)23(26(30)32)16-19-5-3-2-4-6-19/h2-10,15,23-24,27H,11-14,16-18H2,1H3/t23-,24+/m1/s1

InChI Key

ULVFHEMOQODHBQ-RPWUZVMVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

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

2.476

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-3.01

Polar Surface Area

54.303

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

S975-0521 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with S975-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S975-0521?
Check Price and Availability of S975-0521, 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 S975-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S975-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S975-0521
  • 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 S975-0521 available by request