E645-0905 Screening compound: 8-chloro-6-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

E645-0905 Screening compound: 8-chloro-6-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
E645-0905 Screening compound: 8-chloro-6-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0905
8-chloro-6-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-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

E645-0905

Molecular Formula

C21H20ClN3O5 (C21 H20 ClN3 O5)

Compound Name

8-chloro-6-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

IUPAC name

13-chloro-10-(2-{14-dioxa-8-azaspiro[4.5]decan-8-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)N(CC1)CCC11OCCO1

InChI

InChI=1S/C21H20ClN3O5/c22-14-3-4-17-16(12-14)25(20(27)15-2-1-7-23-19(15)30-17)13-18(26)24-8-5-21(6-9-24)28-10-11-29-21/h1-4,7,12H,5-6,8-11,13H2

InChI Key

CHICGGDDYHBBCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.784

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-3.00

Polar Surface Area

63.361

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E645-0905 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E645-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0905?
Check Price and Availability of E645-0905, 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 E645-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0905
  • 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 E645-0905 available by request