E645-0409 Screening compound: 2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-phenethylacetamide

E645-0409 Screening compound: 2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-phenethylacetamide
E645-0409 Screening compound: 2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0409
2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-phenethylacetamide

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

E645-0409

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-phenethylacetamide

IUPAC name

2-{13-methyl-9-oxo-2-oxa-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}-N-(2-phenylethyl)acetamide

SMILES

Cc(cc1)cc(N2CC(NCCc3ccccc3)=O)c1Oc(nccc1)c1C2=O

InChI

InChI=1S/C23H21N3O3/c1-16-9-10-20-19(14-16)26(23(28)18-8-5-12-25-22(18)29-20)15-21(27)24-13-11-17-6-3-2-4-7-17/h2-10,12,14H,11,13,15H2,1H3,(H,24,27)

InChI Key

AMPBAWHEKDIRHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.54

Polar Surface Area

56.845

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E645-0409 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E645-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0409?
Check Price and Availability of E645-0409, 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 E645-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0409
  • 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 E645-0409 available by request