E216-1324 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide

E216-1324 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
E216-1324 Screening compound: 1-(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 E216-1324
1-(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

E216-1324

Molecular Formula

C26H33N3O4 (C26 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc1ccc(CNC(C(CC2)CCN2C(N2c(cc(C)cc3)c3OCC2)=O)=O)cc1

InChI

InChI=1S/C26H33N3O4/c1-18(2)33-22-7-5-20(6-8-22)17-27-25(30)21-10-12-28(13-11-21)26(31)29-14-15-32-24-9-4-19(3)16-23(24)29/h4-9,16,18,21H,10-15,17H2,1-3H3,(H,27,30)

InChI Key

TYTXHWQJUVMSOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

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

3.821

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-3.83

Polar Surface Area

56.524

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E216-1324 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PI3K-Targeted Library (17255 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E216-1324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-1324?
Check Price and Availability of E216-1324, 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 E216-1324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-1324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-1324
  • 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 E216-1324 available by request