S975-0396 Screening compound: 2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione

S975-0396 Screening compound: 2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione
S975-0396 Screening compound: 2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S975-0396
2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-methyl-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

S975-0396

Molecular Formula

C18H26N4O6 (C18 H26 N4 O6)

Compound Name

2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione

IUPAC name

(7S9aS)-2-(2-methoxyethyl)-8-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]-7-methyl-octahydro-1H-[14]diazino[12-a]pyrazine-16-dione

SMILES

C[C@@H](C(N(CCN1CCOC)[C@@H](C2)C1=O)=O)N2C(c1noc(C)c1COC)=O

InChI

InChI=1S/C18H26N4O6/c1-11-16(23)21-6-5-20(7-8-26-3)17(24)14(21)9-22(11)18(25)15-13(10-27-4)12(2)28-19-15/h11,14H,5-10H2,1-4H3/t11-,14+/m1/s1

InChI Key

GHYGZIORCHVEID-RISCZKNCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.935

Distribution Coefficient, logD

-0.935

Water Solubility, LogSw

0.04

Polar Surface Area

87.838

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S975-0396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S975-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S975-0396?
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What is the minimum amount of S975-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S975-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S975-0396
  • 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 S975-0396 available by request