S511-2074 Screening compound: N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

S511-2074 Screening compound: N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide
S511-2074 Screening compound: N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-2074
N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

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

S511-2074

Molecular Formula

C22H32N2O2 (C22 H32 N2 O2)

Compound Name

N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

IUPAC name

N-benzyl-2-{9-cyclobutyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

SMILES

O=C(CC1CC(CC2)(CCN2C2CCC2)OCC1)NCc1ccccc1

InChI

InChI=1S/C22H32N2O2/c25-21(23-17-18-5-2-1-3-6-18)15-19-9-14-26-22(16-19)10-12-24(13-11-22)20-7-4-8-20/h1-3,5-6,19-20H,4,7-17H2,(H,23,25)/t19-/m1/s1

InChI Key

BOIPFHYBSXQXFE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31981505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

-1.330

Water Solubility, LogSw

-3.27

Polar Surface Area

34.657

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

11.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

S511-2074 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S511-2074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-2074?
Check Price and Availability of S511-2074, 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 S511-2074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-2074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-2074
  • 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 S511-2074 available by request