C533-1266 Screening compound: N4-(4-ETHYLPHENYL)-3-METHYL-2-OXO-1-OXASPIRO[4.5]DEC-3-ENE-4-CARBOXAMIDE

C533-1266 Screening compound: N4-(4-ETHYLPHENYL)-3-METHYL-2-OXO-1-OXASPIRO[4.5]DEC-3-ENE-4-CARBOXAMIDE
C533-1266 Screening compound: N4-(4-ETHYLPHENYL)-3-METHYL-2-OXO-1-OXASPIRO[4.5]DEC-3-ENE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1266
N4-(4-ETHYLPHENYL)-3-METHYL-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

C533-1266

Molecular Formula

C19H23NO3 (C19 H23 NO3)

Compound Name

N4-(4-ETHYLPHENYL)-3-METHYL-2-OXO-1-OXASPIRO[4.5]DEC-3-ENE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(C(C1(CCCCC1)O1)=C(C)C1=O)=O

InChI

InChI=1S/C19H23NO3/c1-3-14-7-9-15(10-8-14)20-17(21)16-13(2)18(22)23-19(16)11-5-4-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,20,21)

InChI Key

NOHWVJQTJIYENE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

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

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.10

Polar Surface Area

44.155

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C533-1266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C533-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1266?
Check Price and Availability of C533-1266, 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 C533-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1266
  • 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 C533-1266 available by request