E686-0220 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

E686-0220 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
E686-0220 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E686-0220
N-[(2,3-dimethoxyphenyl)methyl]-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

E686-0220

Molecular Formula

C21H27NO5 (C21 H27 NO5)

Compound Name

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

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

SMILES

CC(C(OC12CCCCCC2)=O)=C1C(NCc(cccc1OC)c1OC)=O

InChI

InChI=1S/C21H27NO5/c1-14-17(21(27-20(14)24)11-6-4-5-7-12-21)19(23)22-13-15-9-8-10-16(25-2)18(15)26-3/h8-10H,4-7,11-13H2,1-3H3,(H,22,23)

InChI Key

AJLOXECMZICNMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.64

Polar Surface Area

61.156

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E686-0220 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E686-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E686-0220?
Check Price and Availability of E686-0220, 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 E686-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E686-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E686-0220
  • 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 E686-0220 available by request