S543-0521 Screening compound: N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-cyclopropylbenzamide

S543-0521 Screening compound: N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-cyclopropylbenzamide
S543-0521 Screening compound: N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0521
N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-cyclopropylbenzamide

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

S543-0521

Molecular Formula

C26H36N2O3 (C26 H36 N2 O3)

Compound Name

N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-cyclopropylbenzamide

IUPAC name

N-[9-(2-cyclopentylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-cyclopropylbenzamide

SMILES

O=C(CC1CCCC1)N(CC1)CCC1(C1)OCCC1N(C1CC1)C(c1ccccc1)=O

InChI

InChI=1S/C26H36N2O3/c29-24(18-20-6-4-5-7-20)27-15-13-26(14-16-27)19-23(12-17-31-26)28(22-10-11-22)25(30)21-8-2-1-3-9-21/h1-3,8-9,20,22-23H,4-7,10-19H2/t23-/m0/s1

InChI Key

DZBLKCCTFIVXLA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29006378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.92

Polar Surface Area

38.195

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

S543-0521 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S543-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0521?
Check Price and Availability of S543-0521, 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 S543-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0521
  • 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 S543-0521 available by request