E894-1054 Screening compound: N-(2-chlorophenyl)-2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)acetamide

E894-1054 Screening compound: N-(2-chlorophenyl)-2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)acetamide
E894-1054 Screening compound: N-(2-chlorophenyl)-2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-1054
N-(2-chlorophenyl)-2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-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

E894-1054

Molecular Formula

C27H26ClN3O4 (C27 H26 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(N2CC(Nc(cccc3)c3Cl)=O)c1C=C(CNc(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C27H26ClN3O4/c1-17-8-9-18-13-19(15-29-20-10-11-24(34-2)25(14-20)35-3)27(33)31(23(18)12-17)16-26(32)30-22-7-5-4-6-21(22)28/h4-14,29H,15-16H2,1-3H3,(H,30,32)

InChI Key

MNICESDGYYICAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.97

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

4.475

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.39

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

10.89

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 E894-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-1054?
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What is the minimum amount of E894-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-1054
  • 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 E894-1054 available by request