E216-5111 Screening compound: N-benzyl-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5111 Screening compound: N-benzyl-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5111 Screening compound: N-benzyl-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5111
N-benzyl-6-chloro-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

E216-5111

Molecular Formula

C16H15ClN2O2 (C16 H15 ClN2 O2)

Compound Name

N-benzyl-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

N-benzyl-6-chloro-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

O=C(NCc1ccccc1)N1c(cc(cc2)Cl)c2OCC1

InChI

InChI=1S/C16H15ClN2O2/c17-13-6-7-15-14(10-13)19(8-9-21-15)16(20)18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)

InChI Key

BRQFAGZCGMDPGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.76

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

3.399

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.76

Polar Surface Area

33.645

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E216-5111 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E216-5111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5111?
Check Price and Availability of E216-5111, 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 E216-5111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5111
  • 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 E216-5111 available by request