E216-5265 Screening compound: ethyl 2-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]acetate

E216-5265 Screening compound: ethyl 2-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]acetate
E216-5265 Screening compound: ethyl 2-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5265
ethyl 2-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]acetate

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

E216-5265

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

ethyl 2-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]acetate

IUPAC name

ethyl 2-[(2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)amino]acetate

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1C(NCC(OCC)=O)=O

InChI

InChI=1S/C16H22N2O4/c1-4-12-10-18(16(20)17-9-15(19)21-5-2)13-8-11(3)6-7-14(13)22-12/h6-8,12H,4-5,9-10H2,1-3H3,(H,17,20)/t12-/m1/s1

InChI Key

FIDUGKXNZWYOEN-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14848200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

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

2.789

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.12

Polar Surface Area

53.367

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E216-5265 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E216-5265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5265?
Check Price and Availability of E216-5265, 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 E216-5265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5265
  • 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 E216-5265 available by request