SA42-0752 Screening compound: 2-methoxy-1-[6-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one

SA42-0752 Screening compound: 2-methoxy-1-[6-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one
SA42-0752 Screening compound: 2-methoxy-1-[6-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA42-0752
2-methoxy-1-[6-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,6-diazaspiro[3.4]octan-2-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

SA42-0752

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

2-methoxy-1-[6-methyl-7-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]ethan-1-one

IUPAC name

2-methoxy-1-[6-methyl-7-(5-phenyl-124-oxadiazol-3-yl)-26-diazaspiro[3.4]octan-2-yl]ethan-1-one

SMILES

CN(CC(C1)(CN1C(COC)=O)C1)C1c1noc(-c2ccccc2)n1

InChI

InChI=1S/C18H22N4O3/c1-21-10-18(11-22(12-18)15(23)9-24-2)8-14(21)16-19-17(25-20-16)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/t14-/m1/s1

InChI Key

VXVVTMUONPRFIO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32236160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.097

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-1.79

Polar Surface Area

60.265

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA42-0752 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA42-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA42-0752?
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What is the minimum amount of SA42-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA42-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA42-0752
  • 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 SA42-0752 available by request