E216-4814 Screening compound: N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-4814 Screening compound: N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-4814 Screening compound: N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-4814
N-(3-bromophenyl)-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

E216-4814

Molecular Formula

C15H13BrN2O2 (C15 H13 BrN2 O2)

Compound Name

N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

N-(3-bromophenyl)-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

O=C(Nc1cccc(Br)c1)N1c(cccc2)c2OCC1

InChI

InChI=1S/C15H13BrN2O2/c16-11-4-3-5-12(10-11)17-15(19)18-8-9-20-14-7-2-1-6-13(14)18/h1-7,10H,8-9H2,(H,17,19)

InChI Key

HXFZMWZDDRWQLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.09

Polar Surface Area

32.323

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

E216-4814 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E216-4814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-4814?
Check Price and Availability of E216-4814, 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 E216-4814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-4814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-4814
  • 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 E216-4814 available by request