E686-0130 Screening compound: N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

E686-0130 Screening compound: N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
E686-0130 Screening compound: N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E686-0130
N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-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

E686-0130

Molecular Formula

C19H22ClNO3 (C19 H22 ClNO3)

Compound Name

N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

SMILES

CC(C(OC12CCCCCC2)=O)=C1C(Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C19H22ClNO3/c1-12-14(20)8-7-9-15(12)21-17(22)16-13(2)18(23)24-19(16)10-5-3-4-6-11-19/h7-9H,3-6,10-11H2,1-2H3,(H,21,22)

InChI Key

NAUJICFMGJTCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.84

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

4.704

Distribution Coefficient, logD

4.694

Water Solubility, LogSw

-4.74

Polar Surface Area

43.788

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

E686-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E686-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E686-0130?
Check Price and Availability of E686-0130, 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 E686-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E686-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E686-0130
  • 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 E686-0130 available by request