S511-1872 Screening compound: N-benzyl-2-[9-(3-cyanobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

S511-1872 Screening compound: N-benzyl-2-[9-(3-cyanobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
S511-1872 Screening compound: N-benzyl-2-[9-(3-cyanobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-1872
N-benzyl-2-[9-(3-cyanobenzoyl)-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

S511-1872

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

N-benzyl-2-[9-(3-cyanobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

IUPAC name

N-benzyl-2-[9-(3-cyanobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

SMILES

N#Cc1cccc(C(N(CC2)CCC22OCCC(CC(NCc3ccccc3)=O)C2)=O)c1

InChI

InChI=1S/C26H29N3O3/c27-18-22-7-4-8-23(15-22)25(31)29-12-10-26(11-13-29)17-21(9-14-32-26)16-24(30)28-19-20-5-2-1-3-6-20/h1-8,15,21H,9-14,16-17,19H2,(H,28,30)/t21-/m0/s1

InChI Key

LESGLTCZJWOKKG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31985533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.92

Polar Surface Area

64.745

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

S511-1872 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S511-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-1872?
Check Price and Availability of S511-1872, 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 S511-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-1872
  • 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 S511-1872 available by request