E894-0988 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-phenylacetamide

E894-0988 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-phenylacetamide
E894-0988 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0988
2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-phenylacetamide

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

E894-0988

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-phenylacetamide

IUPAC name

2-(3-{[(34-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-12-dihydroquinolin-1-yl)-N-phenylacetamide

SMILES

Cc(cc1)cc(N2CC(Nc3ccccc3)=O)c1C=C(CNc(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C27H27N3O4/c1-18-9-10-19-14-20(16-28-22-11-12-24(33-2)25(15-22)34-3)27(32)30(23(19)13-18)17-26(31)29-21-7-5-4-6-8-21/h4-15,28H,16-17H2,1-3H3,(H,29,31)

InChI Key

XXUDJYVEYKAWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.34

Polar Surface Area

63.986

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E894-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0988?
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What is the minimum amount of E894-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0988
  • 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 E894-0988 available by request