S030-1296 Screening compound: N-[2-(1-ethyl-4-piperidyl)ethyl]-2-(4-pyridylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

S030-1296 Screening compound: N-[2-(1-ethyl-4-piperidyl)ethyl]-2-(4-pyridylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide
S030-1296 Screening compound: N-[2-(1-ethyl-4-piperidyl)ethyl]-2-(4-pyridylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1296
N-[2-(1-ethyl-4-piperidyl)ethyl]-2-(4-pyridylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

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

S030-1296

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

N-[2-(1-ethyl-4-piperidyl)ethyl]-2-(4-pyridylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(pyridine-4-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

SMILES

CCN1CCC(CCNC(C(CN(C2)C(c3ccncc3)=O)C22CCCCC2)=O)CC1

InChI

InChI=1S/C25H38N4O2/c1-2-28-16-9-20(10-17-28)6-15-27-23(30)22-18-29(19-25(22)11-4-3-5-12-25)24(31)21-7-13-26-14-8-21/h7-8,13-14,20,22H,2-6,9-12,15-19H2,1H3,(H,27,30)/t22-/m0/s1

InChI Key

LOJPIMKJUNOSLO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27617131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.862

Distribution Coefficient, logD

-0.198

Water Solubility, LogSw

-1.95

Polar Surface Area

54.452

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

S030-1296 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • 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

References: we are preparing a list of scientific research reports with S030-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1296?
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What is the minimum amount of S030-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1296
  • 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 S030-1296 available by request