E216-5109 Screening compound: methyl 4-[(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate

E216-5109 Screening compound: methyl 4-[(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate
E216-5109 Screening compound: methyl 4-[(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5109
methyl 4-[(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)amino]benzoate

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

E216-5109

Molecular Formula

C17H15ClN2O4 (C17 H15 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(N1c(cc(cc2)Cl)c2OCC1)=O)=O

InChI

InChI=1S/C17H15ClN2O4/c1-23-16(21)11-2-5-13(6-3-11)19-17(22)20-8-9-24-15-7-4-12(18)10-14(15)20/h2-7,10H,8-9H2,1H3,(H,19,22)

InChI Key

CLDOLSFDHKNIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.46

Polar Surface Area

53.497

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E216-5109 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E216-5109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5109?
Check Price and Availability of E216-5109, 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 E216-5109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5109
  • 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 E216-5109 available by request