S730-0078 Screening compound: hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

S730-0078 Screening compound: hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
S730-0078 Screening compound: hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S730-0078
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

S730-0078

Molecular Formula

C11H19N3O (C11 H19 N3 O)

Compound Name

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

IUPAC name

hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazin]-1'-one

SMILES

O=C1NCCN(C2)C1CC21CCNCC1

InChI

InChI=1S/C11H19N3O/c15-10-9-7-11(1-3-12-4-2-11)8-14(9)6-5-13-10/h9,12H,1-8H2,(H,13,15)/t9-/m0/s1

InChI Key

QWZYNIWOYLOUFD-VIFPVBQESA-N

MDL Number (MFCD)

MFCD28897791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-1.329

Distribution Coefficient, logD

-4.457

Water Solubility, LogSw

-0.54

Polar Surface Area

40.850

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.91

S730-0078 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S730-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S730-0078?
Check Price and Availability of S730-0078, 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 S730-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S730-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S730-0078
  • 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 S730-0078 available by request