C533-1019 Screening compound: N-(3-ethylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1019 Screening compound: N-(3-ethylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1019 Screening compound: N-(3-ethylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1019
N-(3-ethylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-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

C533-1019

Molecular Formula

C20H25NO3 (C20 H25 NO3)

Compound Name

N-(3-ethylphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-(3-ethylphenyl)-38-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CCc1cccc(NC(C(C2(CCC(C)CC2)O2)=C(C)C2=O)=O)c1

InChI

InChI=1S/C20H25NO3/c1-4-15-6-5-7-16(12-15)21-18(22)17-14(3)19(23)24-20(17)10-8-13(2)9-11-20/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,22)

InChI Key

DDEYKOBKDUXPRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.37

Polar Surface Area

44.155

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C533-1019 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C533-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1019?
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What is the minimum amount of C533-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1019
  • 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 C533-1019 available by request