E645-0293 Screening compound: 6-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

E645-0293 Screening compound: 6-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
E645-0293 Screening compound: 6-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0293
6-{2-[4-(2-furylcarbonyl)piperazino]-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

E645-0293

Molecular Formula

C23H20N4O5 (C23 H20 N4 O5)

Compound Name

6-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

IUPAC name

10-{2-[4-(furan-2-carbonyl)piperazin-1-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(cccc1)c1Oc1c2cccn1)C2=O)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C23H20N4O5/c28-20(25-10-12-26(13-11-25)23(30)19-8-4-14-31-19)15-27-17-6-1-2-7-18(17)32-21-16(22(27)29)5-3-9-24-21/h1-9,14H,10-13,15H2

InChI Key

CEYQKTRFUPRGAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

1.314

Water Solubility, LogSw

-2.14

Polar Surface Area

73.959

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E645-0293 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E645-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0293?
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What is the minimum amount of E645-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0293
  • 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 E645-0293 available by request