S664-4992 Screening compound: 1-{1-HYDROXY-7-AZASPIRO[3.5]NONAN-7-YL}-3-(1H-INDOL-3-YL)PROPAN-1-ONE

S664-4992 Screening compound: 1-{1-HYDROXY-7-AZASPIRO[3.5]NONAN-7-YL}-3-(1H-INDOL-3-YL)PROPAN-1-ONE
S664-4992 Screening compound: 1-{1-HYDROXY-7-AZASPIRO[3.5]NONAN-7-YL}-3-(1H-INDOL-3-YL)PROPAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4992
1-{1-HYDROXY-7-AZASPIRO[3.5]NONAN-7-YL}-3-(1H-INDOL-3-YL)PROPAN-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

S664-4992

Molecular Formula

C19H24N2O2 (C19 H24 N2 O2)

Compound Name

1-{1-HYDROXY-7-AZASPIRO[3.5]NONAN-7-YL}-3-(1H-INDOL-3-YL)PROPAN-1-ONE

IUPAC name

n/a

SMILES

OC(CC1)C1(CC1)CCN1C(CCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C19H24N2O2/c22-17-7-8-19(17)9-11-21(12-10-19)18(23)6-5-14-13-20-16-4-2-1-3-15(14)16/h1-4,13,17,20,22H,5-12H2/t17-/m0/s1

InChI Key

XYECBMAPCZLYLQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30465783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.16

Polar Surface Area

42.098

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

S664-4992 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with S664-4992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4992?
Check Price and Availability of S664-4992, 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 S664-4992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4992
  • 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 S664-4992 available by request