E216-0472 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

E216-0472 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
E216-0472 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0472
1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)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

E216-0472

Molecular Formula

C25H30ClN3O4 (C25 H30 ClN3 O4)

Compound Name

1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

CCOc1c(CNC(C(CC2)CCN2C(N2c(cc(cc3)Cl)c3OC(C)C2)=O)=O)cccc1

InChI

InChI=1S/C25H30ClN3O4/c1-3-32-22-7-5-4-6-19(22)15-27-24(30)18-10-12-28(13-11-18)25(31)29-16-17(2)33-23-9-8-20(26)14-21(23)29/h4-9,14,17-18H,3,10-13,15-16H2,1-2H3,(H,27,30)/t17-/m1/s1

InChI Key

HUAKFQCUKYUXMU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14847712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.39

Polar Surface Area

56.029

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E216-0472 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 E216-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0472?
Check Price and Availability of E216-0472, 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 E216-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0472
  • 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 E216-0472 available by request