E616-0546 Screening compound: 8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

E616-0546 Screening compound: 8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
E616-0546 Screening compound: 8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E616-0546
8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-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

E616-0546

Molecular Formula

C26H38N4O4 (C26 H38 N4 O4)

Compound Name

8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

8-ethyl-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CCN(CC1)CCC1(C(C(NCCCN(CC1)CCN1c(cc1)ccc1OC)=O)=C1C)OC1=O

InChI

InChI=1S/C26H38N4O4/c1-4-28-14-10-26(11-15-28)23(20(2)25(32)34-26)24(31)27-12-5-13-29-16-18-30(19-17-29)21-6-8-22(33-3)9-7-21/h6-9H,4-5,10-19H2,1-3H3,(H,27,31)

InChI Key

BNEQNCUKCNWWBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.066

Distribution Coefficient, logD

-1.175

Water Solubility, LogSw

-2.55

Polar Surface Area

63.642

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

E616-0546 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E616-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0546?
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What is the minimum amount of E616-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0546
  • 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 E616-0546 available by request