SA46-0580 Screening compound: 2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-0580 Screening compound: 2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-0580 Screening compound: 2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0580
2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

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

SA46-0580

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

COc1ccc(C2(CC2)C(N(C2)CC2(C2)OCC2N2CCCCC2)=O)cc1

InChI

InChI=1S/C22H30N2O3/c1-26-19-7-5-17(6-8-19)22(9-10-22)20(25)24-15-21(16-24)13-18(14-27-21)23-11-3-2-4-12-23/h5-8,18H,2-4,9-16H2,1H3/t18-/m1/s1

InChI Key

FBKULGUPZNFOFW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-2.60

Polar Surface Area

35.439

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA46-0580 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA46-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0580?
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What is the minimum amount of SA46-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0580
  • 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 SA46-0580 available by request