SA46-0547 Screening compound: 1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline

SA46-0547 Screening compound: 1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline
SA46-0547 Screening compound: 1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0547
1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline

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

SA46-0547

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline

IUPAC name

1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane-2-carbonyl]isoquinoline

SMILES

O=C(c1nccc2ccccc12)N(C1)CC1(C1)OCC1N1CCCCC1

InChI

InChI=1S/C21H25N3O2/c25-20(19-18-7-3-2-6-16(18)8-9-22-19)24-14-21(15-24)12-17(13-26-21)23-10-4-1-5-11-23/h2-3,6-9,17H,1,4-5,10-15H2/t17-/m1/s1

InChI Key

GILCPRJBAPEYRW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32236390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.63

Polar Surface Area

37.191

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SA46-0547 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA46-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0547?
Check Price and Availability of SA46-0547, 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 SA46-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0547
  • 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 SA46-0547 available by request