E216-5243 Screening compound: 2-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5243 Screening compound: 2-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5243 Screening compound: 2-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5243
2-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-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

E216-5243

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

2-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

2-ethyl-6-methyl-N-(3-methylphenyl)-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1C(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)8-9-18(17)23-16)19(22)20-15-7-5-6-13(2)10-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)/t16-/m1/s1

InChI Key

LQEHRDHPSSJMCY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03861084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.45

Polar Surface Area

31.615

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E216-5243 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E216-5243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5243?
Check Price and Availability of E216-5243, 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 E216-5243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5243
  • 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 E216-5243 available by request