S511-0552 Screening compound: 1-(MORPHOLIN-4-YL)-2-{9-[(1,3-THIAZOL-2-YL)METHYL]-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-YL}ETHAN-1-ONE

S511-0552 Screening compound: 1-(MORPHOLIN-4-YL)-2-{9-[(1,3-THIAZOL-2-YL)METHYL]-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-YL}ETHAN-1-ONE
S511-0552 Screening compound: 1-(MORPHOLIN-4-YL)-2-{9-[(1,3-THIAZOL-2-YL)METHYL]-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-0552
1-(MORPHOLIN-4-YL)-2-{9-[(1,3-THIAZOL-2-YL)METHYL]-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-YL}ETHAN-1-ONE

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

S511-0552

Molecular Formula

C19H29N3O3S (C19 H29 N3 O3 S)

Compound Name

1-(MORPHOLIN-4-YL)-2-{9-[(1,3-THIAZOL-2-YL)METHYL]-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-YL}ETHAN-1-ONE

IUPAC name

1-(morpholin-4-yl)-2-{9-[(13-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-one

SMILES

O=C(CC1CC2(CCN(Cc3nccs3)CC2)OCC1)N1CCOCC1

InChI

InChI=1S/C19H29N3O3S/c23-18(22-7-10-24-11-8-22)13-16-1-9-25-19(14-16)2-5-21(6-3-19)15-17-20-4-12-26-17/h4,12,16H,1-3,5-11,13-15H2/t16-/m0/s1

InChI Key

PZHZYUJGUMFTOD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31977153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.52

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

1.189

Distribution Coefficient, logD

1.182

Water Solubility, LogSw

-1.81

Polar Surface Area

45.535

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

S511-0552 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)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S511-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-0552?
Check Price and Availability of S511-0552, 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 S511-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-0552
  • 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 S511-0552 available by request