S975-0398 Screening compound: 2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione

S975-0398 Screening compound: 2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione
S975-0398 Screening compound: 2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S975-0398
2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-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

S975-0398

Molecular Formula

C22H27N5O5 (C22 H27 N5 O5)

Compound Name

2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione

IUPAC name

(7S9aS)-2-(2-methoxyethyl)-7-methyl-8-[3-(3-phenyl-124-oxadiazol-5-yl)propanoyl]-octahydro-1H-[14]diazino[12-a]pyrazine-16-dione

SMILES

C[C@@H](C(N(CCN1CCOC)[C@@H](C2)C1=O)=O)N2C(CCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C22H27N5O5/c1-15-21(29)26-11-10-25(12-13-31-2)22(30)17(26)14-27(15)19(28)9-8-18-23-20(24-32-18)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/t15-,17+/m1/s1

InChI Key

ROZWFHRRDSFKOY-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.920

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-1.49

Polar Surface Area

87.998

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S975-0398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 S975-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S975-0398?
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What is the minimum amount of S975-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S975-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S975-0398
  • 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 S975-0398 available by request