S453-0354 Screening compound: N-(3,4-dimethylphenyl)-4-({2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}methyl)benzamide

S453-0354 Screening compound: N-(3,4-dimethylphenyl)-4-({2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}methyl)benzamide
S453-0354 Screening compound: N-(3,4-dimethylphenyl)-4-({2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S453-0354
N-(3,4-dimethylphenyl)-4-({2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl}methyl)benzamide

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

S453-0354

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-4-({24-dioxo-8-oxa-13-diazaspiro[4.5]decan-3-yl}methyl)benzamide

SMILES

Cc(cc1)c(C)cc1NC(c1ccc(CN(C(C2(CCOCC2)N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C23H25N3O4/c1-15-3-8-19(13-16(15)2)24-20(27)18-6-4-17(5-7-18)14-26-21(28)23(25-22(26)29)9-11-30-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29)

InChI Key

WOBCYRIOCUEGFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.418

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.53

Polar Surface Area

72.837

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

S453-0354 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S453-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S453-0354?
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What is the minimum amount of S453-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S453-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S453-0354
  • 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 S453-0354 available by request