S975-0338 Screening compound: 2-(2-methoxyethyl)-8-(6-methoxypyridine-3-carbonyl)-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione

S975-0338 Screening compound: 2-(2-methoxyethyl)-8-(6-methoxypyridine-3-carbonyl)-7-methyl-octahydro-1H-[1,4]diazino[1,2-a]pyrazine-1,6-dione
S975-0338 Screening compound: 2-(2-methoxyethyl)-8-(6-methoxypyridine-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 S975-0338
2-(2-methoxyethyl)-8-(6-methoxypyridine-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

S975-0338

Molecular Formula

C18H24N4O5 (C18 H24 N4 O5)

Compound Name

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

IUPAC name

(7S9aS)-2-(2-methoxyethyl)-8-(6-methoxypyridine-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(c(cc1)cnc1OC)=O

InChI

InChI=1S/C18H24N4O5/c1-12-16(23)21-7-6-20(8-9-26-2)18(25)14(21)11-22(12)17(24)13-4-5-15(27-3)19-10-13/h4-5,10,12,14H,6-9,11H2,1-3H3/t12-,14+/m1/s1

InChI Key

NAJOSMCRNXWWMJ-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.334

Distribution Coefficient, logD

-0.334

Water Solubility, LogSw

-1.17

Polar Surface Area

73.764

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S975-0338 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S975-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S975-0338?
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What is the minimum amount of S975-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S975-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S975-0338
  • 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 S975-0338 available by request