E216-5453 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5453 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5453 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5453
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-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

E216-5453

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C25H30ClN3O3/c1-2-21-17-29(22-5-3-4-6-23(22)32-21)25(31)28-15-12-19(13-16-28)24(30)27-14-11-18-7-9-20(26)10-8-18/h3-10,19,21H,2,11-17H2,1H3,(H,27,30)/t21-/m1/s1

InChI Key

SGBRETHMSAQGOJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14848296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.43

Polar Surface Area

48.855

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E216-5453 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E216-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5453?
Check Price and Availability of E216-5453, 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 E216-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5453
  • 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 E216-5453 available by request