E616-0865 Screening compound: 8-acetyl-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

E616-0865 Screening compound: 8-acetyl-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
E616-0865 Screening compound: 8-acetyl-N-[3-(2,6-dimethylpiperidin-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 E616-0865
8-acetyl-N-[3-(2,6-dimethylpiperidin-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

E616-0865

Molecular Formula

C22H35N3O4 (C22 H35 N3 O4)

Compound Name

8-acetyl-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

8-acetyl-N-[3-(26-dimethylpiperidin-1-yl)propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC1N(CCCNC(C(C(CC2)(CCN2C(C)=O)O2)=C(C)C2=O)=O)C(C)CCC1

InChI

InChI=1S/C22H35N3O4/c1-15-7-5-8-16(2)25(15)12-6-11-23-20(27)19-17(3)21(28)29-22(19)9-13-24(14-10-22)18(4)26/h15-16H,5-14H2,1-4H3,(H,23,27)

InChI Key

HCESNTVZVVVCCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

-1.938

Water Solubility, LogSw

-1.68

Polar Surface Area

65.052

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.30

E616-0865 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E616-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0865?
Check Price and Availability of E616-0865, 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 E616-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0865
  • 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 E616-0865 available by request