E216-5104 Screening compound: 6-chloro-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5104 Screening compound: 6-chloro-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5104 Screening compound: 6-chloro-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5104
6-chloro-N-(3,4,5-trimethoxyphenyl)-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

E216-5104

Molecular Formula

C18H19ClN2O5 (C18 H19 ClN2 O5)

Compound Name

6-chloro-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

6-chloro-N-(345-trimethoxyphenyl)-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

COc1cc(NC(N2c(cc(cc3)Cl)c3OCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C18H19ClN2O5/c1-23-15-9-12(10-16(24-2)17(15)25-3)20-18(22)21-6-7-26-14-5-4-11(19)8-13(14)21/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)

InChI Key

LZKMEDXXSHTHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01763142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.55

Polar Surface Area

55.301

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E216-5104 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 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
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E216-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5104?
Check Price and Availability of E216-5104, 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 E216-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5104
  • 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 E216-5104 available by request