C533-0936 Screening compound: N-(4-methoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-0936 Screening compound: N-(4-methoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-0936 Screening compound: N-(4-methoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-0936
N-(4-methoxyphenyl)-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

C533-0936

Molecular Formula

C19H23NO4 (C19 H23 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1(C(C(Nc(cc1)ccc1OC)=O)=C1C)OC1=O

InChI

InChI=1S/C19H23NO4/c1-12-8-10-19(11-9-12)16(13(2)18(22)24-19)17(21)20-14-4-6-15(23-3)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,20,21)

InChI Key

USJJMQIRLYZVQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.20

Polar Surface Area

51.699

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

C533-0936 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C533-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-0936?
Check Price and Availability of C533-0936, 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 C533-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-0936
  • 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 C533-0936 available by request