S653-0028 Screening compound: 1-[2-benzoyl-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one

S653-0028 Screening compound: 1-[2-benzoyl-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one
S653-0028 Screening compound: 1-[2-benzoyl-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S653-0028
1-[2-benzoyl-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one

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

S653-0028

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

1-[2-benzoyl-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one

IUPAC name

1-[2-benzoyl-3-(hydroxymethyl)-28-diazaspiro[4.5]decan-8-yl]-2-(1H-indol-3-yl)ethan-1-one

SMILES

OCC(CC(C1)(CC2)CCN2C(Cc2c[nH]c3c2cccc3)=O)N1C(c1ccccc1)=O

InChI

InChI=1S/C26H29N3O3/c30-17-21-15-26(18-29(21)25(32)19-6-2-1-3-7-19)10-12-28(13-11-26)24(31)14-20-16-27-23-9-5-4-8-22(20)23/h1-9,16,21,27,30H,10-15,17-18H2/t21-/m1/s1

InChI Key

FTSZHLAOIXWWRA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29015853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.61

Polar Surface Area

59.668

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

S653-0028 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S653-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S653-0028?
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What is the minimum amount of S653-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S653-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S653-0028
  • 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 S653-0028 available by request