S431-0036 Screening compound: 9-(4-fluorobenzenesulfonyl)-4-(morpholin-4-yl)-1-oxa-9-azaspiro[5.5]undecane

S431-0036 Screening compound: 9-(4-fluorobenzenesulfonyl)-4-(morpholin-4-yl)-1-oxa-9-azaspiro[5.5]undecane
S431-0036 Screening compound: 9-(4-fluorobenzenesulfonyl)-4-(morpholin-4-yl)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S431-0036
9-(4-fluorobenzenesulfonyl)-4-(morpholin-4-yl)-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

S431-0036

Molecular Formula

C19H27FN2O4S (C19 H27 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)ccc1F)(N(CC1)CCC1(C1)OCCC1N1CCOCC1)=O

InChI

InChI=1S/C19H27FN2O4S/c20-16-1-3-18(4-2-16)27(23,24)22-8-6-19(7-9-22)15-17(5-12-26-19)21-10-13-25-14-11-21/h1-4,17H,5-15H2/t17-/m1/s1

InChI Key

PSUPVYRLINQBNB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29008095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.898

Water Solubility, LogSw

-2.55

Polar Surface Area

49.553

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

S431-0036 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S431-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S431-0036?
Check Price and Availability of S431-0036, 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 S431-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S431-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S431-0036
  • 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 S431-0036 available by request