E645-0877 Screening compound: 1-{2-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetyl}-4-piperidinecarboxamide

E645-0877 Screening compound: 1-{2-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetyl}-4-piperidinecarboxamide
E645-0877 Screening compound: 1-{2-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0877
1-{2-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetyl}-4-piperidinecarboxamide

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

E645-0877

Molecular Formula

C20H19ClN4O4 (C20 H19 ClN4 O4)

Compound Name

1-{2-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetyl}-4-piperidinecarboxamide

IUPAC name

1-(2-{13-chloro-9-oxo-2-oxa-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}acetyl)piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CN(c(cc(cc1)Cl)c1Oc1c2cccn1)C2=O)=O)=O

InChI

InChI=1S/C20H19ClN4O4/c21-13-3-4-16-15(10-13)25(20(28)14-2-1-7-23-19(14)29-16)11-17(26)24-8-5-12(6-9-24)18(22)27/h1-4,7,10,12H,5-6,8-9,11H2,(H2,22,27)

InChI Key

PCHLPEGVNQZERI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.101

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-2.72

Polar Surface Area

82.983

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E645-0877 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E645-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0877?
Check Price and Availability of E645-0877, 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 E645-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0877
  • 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 E645-0877 available by request