S975-0611 Screening compound: (7S,9aS)-2-isobutyl-7-methyl-8-[(3-methyl-2-thienyl)carbonyl]hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione

S975-0611 Screening compound: (7S,9aS)-2-isobutyl-7-methyl-8-[(3-methyl-2-thienyl)carbonyl]hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
S975-0611 Screening compound: (7S,9aS)-2-isobutyl-7-methyl-8-[(3-methyl-2-thienyl)carbonyl]hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S975-0611
(7S,9aS)-2-isobutyl-7-methyl-8-[(3-methyl-2-thienyl)carbonyl]hexahydro-2H-pyrazino[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

S975-0611

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

(7S,9aS)-2-isobutyl-7-methyl-8-[(3-methyl-2-thienyl)carbonyl]hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione

IUPAC name

(7S9aS)-7-methyl-2-(2-methylpropyl)-8-(3-methylthiophene-2-carbonyl)-octahydro-1H-[14]diazino[12-a]pyrazine-16-dione

SMILES

CC(C)CN(CCN([C@H]1CN([C@H]2C)C(c3c(C)ccs3)=O)C2=O)C1=O

InChI

InChI=1S/C18H25N3O3S/c1-11(2)9-19-6-7-20-14(17(19)23)10-21(13(4)16(20)22)18(24)15-12(3)5-8-25-15/h5,8,11,13-14H,6-7,9-10H2,1-4H3/t13-,14+/m0/s1

InChI Key

DBAWNHGFKSCJBW-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.16

Polar Surface Area

49.880

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S975-0611 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

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
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 S975-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S975-0611?
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What is the minimum amount of S975-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S975-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S975-0611
  • 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 S975-0611 available by request