S730-0081 Screening compound: 1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

S730-0081 Screening compound: 1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
S730-0081 Screening compound: 1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S730-0081
1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

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

S730-0081

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

IUPAC name

1-(3-phenylpropanoyl)-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazin]-1'-one

SMILES

O=C(CCc1ccccc1)N1CCC(C2)(CN(CCN3)C2C3=O)CC1

InChI

InChI=1S/C20H27N3O2/c24-18(7-6-16-4-2-1-3-5-16)22-11-8-20(9-12-22)14-17-19(25)21-10-13-23(17)15-20/h1-5,17H,6-15H2,(H,21,25)/t17-/m0/s1

InChI Key

LAJNHBZAUSKXDE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31994358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.007

Distribution Coefficient, logD

-0.001

Water Solubility, LogSw

-1.84

Polar Surface Area

44.818

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S730-0081 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S730-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S730-0081?
Check Price and Availability of S730-0081, 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 S730-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S730-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S730-0081
  • 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 S730-0081 available by request