S030-0974 Screening compound: 2-benzoyl-N~4~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-N~4~-methyl-2-azaspiro[4.5]decane-4-carboxamide

S030-0974 Screening compound: 2-benzoyl-N~4~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-N~4~-methyl-2-azaspiro[4.5]decane-4-carboxamide
S030-0974 Screening compound: 2-benzoyl-N~4~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-N~4~-methyl-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S030-0974
2-benzoyl-N~4~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-N~4~-methyl-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

S030-0974

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

2-benzoyl-N~4~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-N~4~-methyl-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCN(C)C(C(CN(C1)C(c2ccccc2)=O)C11CCCCC1)=O

InChI

InChI=1S/C25H33N3O3/c1-18-21(19(2)31-26-18)12-15-27(3)24(30)22-16-28(17-25(22)13-8-5-9-14-25)23(29)20-10-6-4-7-11-20/h4,6-7,10-11,22H,5,8-9,12-17H2,1-3H3/t22-/m0/s1

InChI Key

MVKRKJDHZQHJGG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27617047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.02

Polar Surface Area

55.207

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

S030-0974 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S030-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S030-0974?
Check Price and Availability of S030-0974, 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 S030-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S030-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S030-0974
  • 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 S030-0974 available by request