SA46-0546 Screening compound: 4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one

SA46-0546 Screening compound: 4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
SA46-0546 Screening compound: 4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0546
4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-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

SA46-0546

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one

IUPAC name

4-phenyl-1-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one

SMILES

O=C(CCCc1ccccc1)N(C1)CC1(C1)OCC1N1CCCCC1

InChI

InChI=1S/C21H30N2O2/c24-20(11-7-10-18-8-3-1-4-9-18)23-16-21(17-23)14-19(15-25-21)22-12-5-2-6-13-22/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m1/s1

InChI Key

HSVGCJKABKIKIV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32236389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

2.258

Water Solubility, LogSw

-3.13

Polar Surface Area

27.117

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA46-0546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA46-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0546?
Check Price and Availability of SA46-0546, 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 SA46-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0546
  • 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 SA46-0546 available by request