S656-0019 Screening compound: 1-(2,6-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1',4'-dione

S656-0019 Screening compound: 1-(2,6-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1',4'-dione
S656-0019 Screening compound: 1-(2,6-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1',4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S656-0019
1-(2,6-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1',4'-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

S656-0019

Molecular Formula

C19H24N4O5 (C19 H24 N4 O5)

Compound Name

1-(2,6-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1',4'-dione

IUPAC name

1-(26-dimethoxypyridine-3-carbonyl)-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazine]-1'4'-dione

SMILES

COc(cc1)nc(OC)c1C(N1CCC(CC2C(NC3)=O)(CN2C3=O)CC1)=O

InChI

InChI=1S/C19H24N4O5/c1-27-14-4-3-12(17(21-14)28-2)18(26)22-7-5-19(6-8-22)9-13-16(25)20-10-15(24)23(13)11-19/h3-4,13H,5-11H2,1-2H3,(H,20,25)/t13-/m0/s1

InChI Key

ISBZAJRNLNSFGL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31966512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.353

Distribution Coefficient, logD

0.353

Water Solubility, LogSw

-2.23

Polar Surface Area

82.992

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S656-0019 in Drug Discovery

Included in Screening Libraries

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S656-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S656-0019?
Check Price and Availability of S656-0019, 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 S656-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S656-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S656-0019
  • 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 S656-0019 available by request