E216-5102 Screening compound: 6-chloro-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5102 Screening compound: 6-chloro-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5102 Screening compound: 6-chloro-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5102
6-chloro-N-[2-(trifluoromethyl)phenyl]-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

E216-5102

Molecular Formula

C16H12ClF3N2O2 (C16 H12 ClF3 N2 O2)

Compound Name

6-chloro-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

6-chloro-N-[2-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

O=C(Nc1c(C(F)(F)F)cccc1)N1c(cc(cc2)Cl)c2OCC1

InChI

InChI=1S/C16H12ClF3N2O2/c17-10-5-6-14-13(9-10)22(7-8-24-14)15(23)21-12-4-2-1-3-11(12)16(18,19)20/h1-6,9H,7-8H2,(H,21,23)

InChI Key

BJAMKSIWAKZYJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.73

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

4.702

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.88

Polar Surface Area

31.626

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E216-5102 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E216-5102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5102?
Check Price and Availability of E216-5102, 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 E216-5102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5102
  • 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 E216-5102 available by request