E216-5411 Screening compound: 8-[1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

E216-5411 Screening compound: 8-[1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
E216-5411 Screening compound: 8-[1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5411
8-[1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

E216-5411

Molecular Formula

C24H33N3O5 (C24 H33 N3 O5)

Compound Name

8-[1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(N(CC1)CCC11OCCO1)=O)=O

InChI

InChI=1S/C24H33N3O5/c1-2-19-17-27(20-5-3-4-6-21(20)32-19)23(29)26-11-7-18(8-12-26)22(28)25-13-9-24(10-14-25)30-15-16-31-24/h3-6,18-19H,2,7-17H2,1H3/t19-/m1/s1

InChI Key

PCYNMUJEOJKELZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14848280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-2.47

Polar Surface Area

55.685

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

E216-5411 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E216-5411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5411?
Check Price and Availability of E216-5411, 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 E216-5411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5411
  • 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 E216-5411 available by request