C533-1356 Screening compound: 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1356 Screening compound: 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1356 Screening compound: 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1356
3-methyl-N-(4-methylphenyl)-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

C533-1356

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C(OC12CCCCC2)=O)=C1C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C18H21NO3/c1-12-6-8-14(9-7-12)19-16(20)15-13(2)17(21)22-18(15)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)

InChI Key

UMCNLPGRFOWWNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.79

Polar Surface Area

44.155

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C533-1356 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C533-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1356?
Check Price and Availability of C533-1356, 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 C533-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1356
  • 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 C533-1356 available by request