S453-0125 Screening compound: N-(3-cyanophenyl)-2-{2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}acetamide

S453-0125 Screening compound: N-(3-cyanophenyl)-2-{2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}acetamide
S453-0125 Screening compound: N-(3-cyanophenyl)-2-{2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S453-0125
N-(3-cyanophenyl)-2-{2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-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

S453-0125

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

N-(3-cyanophenyl)-2-{2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}acetamide

IUPAC name

N-(3-cyanophenyl)-2-{24-dioxo-8-oxa-13-diazaspiro[4.5]decan-3-yl}acetamide

SMILES

N#Cc1cccc(NC(CN(C(C2(CCOCC2)N2)=O)C2=O)=O)c1

InChI

InChI=1S/C16H16N4O4/c17-9-11-2-1-3-12(8-11)18-13(21)10-20-14(22)16(19-15(20)23)4-6-24-7-5-16/h1-3,8H,4-7,10H2,(H,18,21)(H,19,23)

InChI Key

YNWDXBWSFCEGFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.867

Distribution Coefficient, logD

0.867

Water Solubility, LogSw

-2.15

Polar Surface Area

89.951

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S453-0125 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S453-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S453-0125?
Check Price and Availability of S453-0125, 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 S453-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S453-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S453-0125
  • 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 S453-0125 available by request