S030-1958 Screening compound: N~4~-[2-(4-ethylpiperazino)ethyl]-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

S030-1958 Screening compound: N~4~-[2-(4-ethylpiperazino)ethyl]-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide
S030-1958 Screening compound: N~4~-[2-(4-ethylpiperazino)ethyl]-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1958
N~4~-[2-(4-ethylpiperazino)ethyl]-2-(2-thienylcarbonyl)-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

S030-1958

Molecular Formula

C23H36N4O2S (C23 H36 N4 O2 S)

Compound Name

N~4~-[2-(4-ethylpiperazino)ethyl]-2-(2-thienylcarbonyl)-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

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

SMILES

CCN1CCN(CCNC(C(CN(C2)C(c3cccs3)=O)C22CCCCC2)=O)CC1

InChI

InChI=1S/C23H36N4O2S/c1-2-25-12-14-26(15-13-25)11-10-24-21(28)19-17-27(22(29)20-7-6-16-30-20)18-23(19)8-4-3-5-9-23/h6-7,16,19H,2-5,8-15,17-18H2,1H3,(H,24,28)/t19-/m0/s1

InChI Key

YKJRIJARYVNTQY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27617182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.63

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

1.866

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-2.44

Polar Surface Area

49.833

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.91

S030-1958 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S030-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1958?
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What is the minimum amount of S030-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1958
  • 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 S030-1958 available by request