SA49-0356 Screening compound: 2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SA49-0356 Screening compound: 2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one
SA49-0356 Screening compound: 2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0356
2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-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

SA49-0356

Molecular Formula

C23H30N2O4 (C23 H30 N2 O4)

Compound Name

2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

COc1ccc(C2(CC2)C(N(C2)CC22OCC(CC(N3CCCC3)=O)C2)=O)cc1

InChI

InChI=1S/C23H30N2O4/c1-28-19-6-4-18(5-7-19)23(8-9-23)21(27)25-15-22(16-25)13-17(14-29-22)12-20(26)24-10-2-3-11-24/h4-7,17H,2-3,8-16H2,1H3/t17-/m1/s1

InChI Key

BKIOCCCTOJCTEH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32238130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.61

Polar Surface Area

48.833

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SA49-0356 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0356?
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What is the minimum amount of SA49-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0356
  • 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 SA49-0356 available by request