E645-0896 Screening compound: 8-chloro-6-(2-morpholino-2-oxoethyl)pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

E645-0896 Screening compound: 8-chloro-6-(2-morpholino-2-oxoethyl)pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
E645-0896 Screening compound: 8-chloro-6-(2-morpholino-2-oxoethyl)pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0896
8-chloro-6-(2-morpholino-2-oxoethyl)pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

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

E645-0896

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

8-chloro-6-(2-morpholino-2-oxoethyl)pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

IUPAC name

13-chloro-10-[2-(morpholin-4-yl)-2-oxoethyl]-2-oxa-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-9-one

SMILES

O=C(CN(c(cc(cc1)Cl)c1Oc1c2cccn1)C2=O)N1CCOCC1

InChI

InChI=1S/C18H16ClN3O4/c19-12-3-4-15-14(10-12)22(11-16(23)21-6-8-25-9-7-21)18(24)13-2-1-5-20-17(13)26-15/h1-5,10H,6-9,11H2

InChI Key

BUZMUJYWPAHLLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-2.79

Polar Surface Area

56.833

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E645-0896 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E645-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0896?
Check Price and Availability of E645-0896, 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 E645-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0896
  • 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 E645-0896 available by request