SA44-0536 Screening compound: 6-methyl-7-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-2,6-diazaspiro[3.4]octane

SA44-0536 Screening compound: 6-methyl-7-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-2,6-diazaspiro[3.4]octane
SA44-0536 Screening compound: 6-methyl-7-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA44-0536
6-methyl-7-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-2,6-diazaspiro[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

SA44-0536

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

6-methyl-7-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-2,6-diazaspiro[3.4]octane

IUPAC name

6-methyl-7-[5-(2-methylpropyl)-134-oxadiazol-2-yl]-2-(thiophene-3-carbonyl)-26-diazaspiro[3.4]octane

SMILES

CC(C)Cc1nnc(C2N(C)CC(C3)(CN3C(c3cscc3)=O)C2)o1

InChI

InChI=1S/C18H24N4O2S/c1-12(2)6-15-19-20-16(24-15)14-7-18(9-21(14)3)10-22(11-18)17(23)13-4-5-25-8-13/h4-5,8,12,14H,6-7,9-11H2,1-3H3/t14-/m1/s1

InChI Key

NIGDVGWPEBWSDK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32236638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

-0.873

Water Solubility, LogSw

-2.52

Polar Surface Area

51.891

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

10.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA44-0536 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA44-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA44-0536?
Check Price and Availability of SA44-0536, 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 SA44-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA44-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA44-0536
  • 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 SA44-0536 available by request