E216-5035 Screening compound: 6-chloro-N-(2-ethoxyphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5035 Screening compound: 6-chloro-N-(2-ethoxyphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5035 Screening compound: 6-chloro-N-(2-ethoxyphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5035
6-chloro-N-(2-ethoxyphenyl)-2-methyl-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

E216-5035

Molecular Formula

C18H19ClN2O3 (C18 H19 ClN2 O3)

Compound Name

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

IUPAC name

6-chloro-N-(2-ethoxyphenyl)-2-methyl-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

CCOc(cccc1)c1NC(N1c(cc(cc2)Cl)c2OC(C)C1)=O

InChI

InChI=1S/C18H19ClN2O3/c1-3-23-16-7-5-4-6-14(16)20-18(22)21-11-12(2)24-17-9-8-13(19)10-15(17)21/h4-10,12H,3,11H2,1-2H3,(H,20,22)/t12-/m1/s1

InChI Key

CLXXXXFIJWCAIK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14848083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.67

Polar Surface Area

37.933

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E216-5035 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E216-5035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5035?
Check Price and Availability of E216-5035, 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 E216-5035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5035
  • 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 E216-5035 available by request