S431-0154 Screening compound: 4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

S431-0154 Screening compound: 4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
S431-0154 Screening compound: 4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S431-0154
4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

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

S431-0154

Molecular Formula

C19H32N2O4 (C19 H32 N2 O4)

Compound Name

4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

4-(morpholin-4-yl)-9-(oxane-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=C(C1CCOCC1)N(CC1)CCC1(C1)OCCC1N1CCOCC1

InChI

InChI=1S/C19H32N2O4/c22-18(16-1-10-23-11-2-16)21-6-4-19(5-7-21)15-17(3-12-25-19)20-8-13-24-14-9-20/h16-17H,1-15H2/t17-/m1/s1

InChI Key

ZHNDMJSLMJXUKG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31980654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.702

Distribution Coefficient, logD

0.610

Water Solubility, LogSw

-0.67

Polar Surface Area

42.591

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.74

S431-0154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S431-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S431-0154?
Check Price and Availability of S431-0154, 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 S431-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S431-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S431-0154
  • 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 S431-0154 available by request