E894-1111 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]acetamide

E894-1111 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]acetamide
E894-1111 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-1111
2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]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

E894-1111

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-12-dihydroquinolin-1-yl}-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CN(c(cc(cc2)OC)c2C=C2CNc3ccccc3)C2=O)=O)cc1

InChI

InChI=1S/C27H27N3O4/c1-33-23-11-8-19(9-12-23)16-29-26(31)18-30-25-15-24(34-2)13-10-20(25)14-21(27(30)32)17-28-22-6-4-3-5-7-22/h3-15,28H,16-18H2,1-2H3,(H,29,31)

InChI Key

ZLCVHRARVQPQIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248575

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.33

Polar Surface Area

65.135

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E894-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-1111?
Check Price and Availability of E894-1111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E894-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-1111
  • 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 E894-1111 available by request