E616-0408 Screening compound: 8-ethyl-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

E616-0408 Screening compound: 8-ethyl-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
E616-0408 Screening compound: 8-ethyl-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E616-0408
8-ethyl-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-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

E616-0408

Molecular Formula

C21H35N3O3 (C21 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(C(C(NCCCN1C(C)CCCC1)=O)=C1C)OC1=O

InChI

InChI=1S/C21H35N3O3/c1-4-23-14-9-21(10-15-23)18(17(3)20(26)27-21)19(25)22-11-7-13-24-12-6-5-8-16(24)2/h16H,4-15H2,1-3H3,(H,22,25)/t16-/m0/s1

InChI Key

WYVMXVUVJIIMSZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14904578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.53

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

1.492

Distribution Coefficient, logD

-1.749

Water Solubility, LogSw

-1.66

Polar Surface Area

52.289

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.00

E616-0408 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E616-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0408?
Check Price and Availability of E616-0408, 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 E616-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0408
  • 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 E616-0408 available by request