E894-0189 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide

E894-0189 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide
E894-0189 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide

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

E894-0189

Molecular Formula

C28H25N3O6 (C28 H25 N3 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{7-oxo-8-[(phenylamino)methyl]-2H3H6H7H-[14]dioxino[23-g]quinolin-6-yl}acetamide

SMILES

O=C(CN(c(cc1OCCOc1c1)c1C=C1CNc2ccccc2)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C28H25N3O6/c32-27(30-21-6-7-23-25(14-21)36-9-8-34-23)17-31-22-15-26-24(35-10-11-37-26)13-18(22)12-19(28(31)33)16-29-20-4-2-1-3-5-20/h1-7,12-15,29H,8-11,16-17H2,(H,30,32)

InChI Key

CMGLXXFYSPBUAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.967

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-2.82

Polar Surface Area

80.371

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E894-0189 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E894-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0189?
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What is the minimum amount of E894-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0189
  • 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 E894-0189 available by request