S030-1013 Screening compound: 2-benzoyl-N-[2-(4-ethylpiperazino)ethyl]-2-azaspiro[4.5]decane-4-carboxamide

S030-1013 Screening compound: 2-benzoyl-N-[2-(4-ethylpiperazino)ethyl]-2-azaspiro[4.5]decane-4-carboxamide
S030-1013 Screening compound: 2-benzoyl-N-[2-(4-ethylpiperazino)ethyl]-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-1013
2-benzoyl-N-[2-(4-ethylpiperazino)ethyl]-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

S030-1013

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCNC(C(CN(C2)C(c3ccccc3)=O)C22CCCCC2)=O)CC1

InChI

InChI=1S/C25H38N4O2/c1-2-27-15-17-28(18-16-27)14-13-26-23(30)22-19-29(20-25(22)11-7-4-8-12-25)24(31)21-9-5-3-6-10-21/h3,5-6,9-10,22H,2,4,7-8,11-20H2,1H3,(H,26,30)/t22-/m0/s1

InChI Key

SDCLXARZKMZRJJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27617055

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

1.624

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-2.19

Polar Surface Area

48.814

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

S030-1013 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Proteases

References: we are preparing a list of scientific research reports with S030-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-1013?
Check Price and Availability of S030-1013, 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 S030-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-1013
  • 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 S030-1013 available by request