E894-0683 Screening compound: 2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H,5H,6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)-N-(4-methoxyphenyl)acetamide

E894-0683 Screening compound: 2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H,5H,6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)-N-(4-methoxyphenyl)acetamide
E894-0683 Screening compound: 2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H,5H,6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0683
2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H,5H,6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)-N-(4-methoxyphenyl)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

E894-0683

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H,5H,6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)-N-(4-methoxyphenyl)acetamide

IUPAC name

2-(7-{[(4-ethylphenyl)amino]methyl}-6-oxo-2H5H6H-[13]dioxolo[45-g]quinolin-5-yl)-N-(4-methoxyphenyl)acetamide

SMILES

CCc(cc1)ccc1NCC1=Cc(cc2OCOc2c2)c2N(CC(Nc(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C28H27N3O5/c1-3-18-4-6-21(7-5-18)29-15-20-12-19-13-25-26(36-17-35-25)14-24(19)31(28(20)33)16-27(32)30-22-8-10-23(34-2)11-9-22/h4-14,29H,3,15-17H2,1-2H3,(H,30,32)

InChI Key

CAPSPKFEOAHWGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.02

Polar Surface Area

73.384

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E894-0683 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E894-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0683?
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What is the minimum amount of E894-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0683
  • 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 E894-0683 available by request