E894-1239 Screening compound: N-[(4-fluorophenyl)methyl]-2-(8-{[(4-methylphenyl)amino]methyl}-7-oxo-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl)acetamide

E894-1239 Screening compound: N-[(4-fluorophenyl)methyl]-2-(8-{[(4-methylphenyl)amino]methyl}-7-oxo-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl)acetamide
E894-1239 Screening compound: N-[(4-fluorophenyl)methyl]-2-(8-{[(4-methylphenyl)amino]methyl}-7-oxo-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-1239
N-[(4-fluorophenyl)methyl]-2-(8-{[(4-methylphenyl)amino]methyl}-7-oxo-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

E894-1239

Molecular Formula

C28H26FN3O4 (C28 H26 FN3 O4)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-2-(8-{[(4-methylphenyl)amino]methyl}-7-oxo-2H3H6H7H-[14]dioxino[23-g]quinolin-6-yl)acetamide

SMILES

Cc(cc1)ccc1NCC1=Cc(cc2OCCOc2c2)c2N(CC(NCc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C28H26FN3O4/c1-18-2-8-23(9-3-18)30-16-21-12-20-13-25-26(36-11-10-35-25)14-24(20)32(28(21)34)17-27(33)31-15-19-4-6-22(29)7-5-19/h2-9,12-14,30H,10-11,15-17H2,1H3,(H,31,33)

InChI Key

SZEGUMPKLVRZTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.30

Polar Surface Area

65.870

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E894-1239 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E894-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-1239?
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What is the minimum amount of E894-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-1239
  • 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 E894-1239 available by request