E216-5800 Screening compound: 1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide

E216-5800 Screening compound: 1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
E216-5800 Screening compound: 1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5800
1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}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

E216-5800

Molecular Formula

C28H37N3O4 (C28 H37 N3 O4)

Compound Name

1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide

IUPAC name

1-(2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1C(N(CC1)CCC1C(NCc(cc1)ccc1OC(C)C)=O)=O

InChI

InChI=1S/C28H37N3O4/c1-5-23-18-31(25-16-20(4)6-11-26(25)35-23)28(33)30-14-12-22(13-15-30)27(32)29-17-21-7-9-24(10-8-21)34-19(2)3/h6-11,16,19,22-23H,5,12-15,17-18H2,1-4H3,(H,29,32)/t23-/m1/s1

InChI Key

ZMHNFUXKTIZWOY-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14848433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.27

Polar Surface Area

55.816

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E216-5800 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E216-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5800?
Check Price and Availability of E216-5800, 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 E216-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5800
  • 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 E216-5800 available by request