S030-1888 Screening compound: 1'-{[2-(2-thienylcarbonyl)-2-azaspiro[4.5]dec-4-yl]carbonyl}-1,4'-bipiperidine

S030-1888 Screening compound: 1'-{[2-(2-thienylcarbonyl)-2-azaspiro[4.5]dec-4-yl]carbonyl}-1,4'-bipiperidine
S030-1888 Screening compound: 1'-{[2-(2-thienylcarbonyl)-2-azaspiro[4.5]dec-4-yl]carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1888
1'-{[2-(2-thienylcarbonyl)-2-azaspiro[4.5]dec-4-yl]carbonyl}-1,4'-bipiperidine

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

S030-1888

Molecular Formula

C25H37N3O2S (C25 H37 N3 O2 S)

Compound Name

1'-{[2-(2-thienylcarbonyl)-2-azaspiro[4.5]dec-4-yl]carbonyl}-1,4'-bipiperidine

IUPAC name

1'-[2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carbonyl]-14'-bipiperidine

SMILES

O=C(C(CN(C1)C(c2cccs2)=O)C11CCCCC1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C25H37N3O2S/c29-23(27-15-9-20(10-16-27)26-13-5-2-6-14-26)21-18-28(24(30)22-8-7-17-31-22)19-25(21)11-3-1-4-12-25/h7-8,17,20-21H,1-6,9-16,18-19H2/t21-/m0/s1

InChI Key

QPSBPGKATDBVMX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27617168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

-0.082

Water Solubility, LogSw

-3.54

Polar Surface Area

37.800

Acid Dissociation Constant (pKa)

25.96

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.00

S030-1888 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • 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 S030-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1888?
Check Price and Availability of S030-1888, 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 S030-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1888
  • 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 S030-1888 available by request