SA44-1059 Screening compound: 2-[2-(isopropylsulfonyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]-5-phenyl-1,3,4-oxadiazole

SA44-1059 Screening compound: 2-[2-(isopropylsulfonyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]-5-phenyl-1,3,4-oxadiazole
SA44-1059 Screening compound: 2-[2-(isopropylsulfonyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA44-1059
2-[2-(isopropylsulfonyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]-5-phenyl-1,3,4-oxadiazole

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

SA44-1059

Molecular Formula

C18H24N4O3S (C18 H24 N4 O3 S)

Compound Name

2-[2-(isopropylsulfonyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]-5-phenyl-1,3,4-oxadiazole

IUPAC name

6-methyl-7-(5-phenyl-134-oxadiazol-2-yl)-2-(propane-2-sulfonyl)-26-diazaspiro[3.4]octane

SMILES

CC(C)S(N(C1)CC1(C1)CN(C)C1c1nnc(-c2ccccc2)o1)(=O)=O

InChI

InChI=1S/C18H24N4O3S/c1-13(2)26(23,24)22-11-18(12-22)9-15(21(3)10-18)17-20-19-16(25-17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m1/s1

InChI Key

WPMOWSBFBDPLKV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32236647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.47

Polar Surface Area

66.270

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA44-1059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA44-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA44-1059?
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What is the minimum amount of SA44-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA44-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA44-1059
  • 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 SA44-1059 available by request