SA72-1091 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine

SA72-1091 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine
SA72-1091 Screening compound: 4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-1091
4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine

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

SA72-1091

Molecular Formula

C19H32N4O6S (C19 H32 N4 O6 S)

Compound Name

4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine

IUPAC name

4-{[4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidin-1-yl]sulfonyl}morpholine

SMILES

COCCC(CC1)(CCN1S(N1CCOCC1)(=O)=O)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C19H32N4O6S/c1-26-13-6-19(18-20-17(29-21-18)16-2-11-27-12-3-16)4-7-22(8-5-19)30(24,25)23-9-14-28-15-10-23/h16H,2-15H2,1H3

InChI Key

ZIHSGVNOKDKYTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-1.77

Polar Surface Area

90.113

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

89.47

SA72-1091 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 SA72-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-1091?
Check Price and Availability of SA72-1091, 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 SA72-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-1091
  • 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 SA72-1091 available by request