E216-5322 Screening compound: ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate

E216-5322 Screening compound: ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate
E216-5322 Screening compound: ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5322
ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate

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

E216-5322

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate

IUPAC name

ethyl 3-[(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)amino]benzoate

SMILES

CCC(C1)Oc(cccc2)c2N1C(Nc1cc(C(OCC)=O)ccc1)=O

InChI

InChI=1S/C20H22N2O4/c1-3-16-13-22(17-10-5-6-11-18(17)26-16)20(24)21-15-9-7-8-14(12-15)19(23)25-4-2/h5-12,16H,3-4,13H2,1-2H3,(H,21,24)/t16-/m1/s1

InChI Key

JQUNKPAFQOIAIW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14848232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.26

Polar Surface Area

52.369

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E216-5322 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with E216-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5322?
Check Price and Availability of E216-5322, 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 E216-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5322
  • 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 E216-5322 available by request