S651-0546 Screening compound: 2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethan-1-one

S651-0546 Screening compound: 2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethan-1-one
S651-0546 Screening compound: 2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-0546
2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-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

S651-0546

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethan-1-one

IUPAC name

2-(1H-indol-3-yl)-1-[2-methyl-3-(morpholine-4-carbonyl)-28-diazaspiro[4.5]decan-8-yl]ethan-1-one

SMILES

CN(CC(C1)(CC2)CCN2C(Cc2c[nH]c3c2cccc3)=O)C1C(N1CCOCC1)=O

InChI

InChI=1S/C24H32N4O3/c1-26-17-24(15-21(26)23(30)28-10-12-31-13-11-28)6-8-27(9-7-24)22(29)14-18-16-25-20-5-3-2-4-19(18)20/h2-5,16,21,25H,6-15,17H2,1H3/t21-/m0/s1

InChI Key

MWGAYQBMRDPLRB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29015814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.912

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-2.12

Polar Surface Area

54.394

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

S651-0546 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S651-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-0546?
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What is the minimum amount of S651-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-0546
  • 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 S651-0546 available by request