E616-0291 Screening compound: 8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

E616-0291 Screening compound: 8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
E616-0291 Screening compound: 8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E616-0291
8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[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

E616-0291

Molecular Formula

C30H37N3O3 (C30 H37 N3 O3)

Compound Name

8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

8-benzyl-3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC1CCN(Cc(cc2)ccc2NC(C(C2(CCN(Cc3ccccc3)CC2)O2)=C(C)C2=O)=O)CC1

InChI

InChI=1S/C30H37N3O3/c1-22-12-16-32(17-13-22)21-25-8-10-26(11-9-25)31-28(34)27-23(2)29(35)36-30(27)14-18-33(19-15-30)20-24-6-4-3-5-7-24/h3-11,22H,12-21H2,1-2H3,(H,31,34)

InChI Key

SPBJMZZPJRXBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-4.18

Polar Surface Area

51.428

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E616-0291 in Drug Discovery

Included in Screening Libraries

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

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

Protein Kinases Inhibitors Library (36801 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E616-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0291?
Check Price and Availability of E616-0291, 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 E616-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0291
  • 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 E616-0291 available by request