E894-1199 Screening compound: ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamido]benzoate

E894-1199 Screening compound: ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamido]benzoate
E894-1199 Screening compound: ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-1199
ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamido]benzoate

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

E894-1199

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamido]benzoate

IUPAC name

ethyl 2-[2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-12-dihydroquinolin-1-yl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cc(cc1)OC)c1C=C1CNc2ccc(C)cc2)C1=O)=O)=O

InChI

InChI=1S/C29H29N3O5/c1-4-37-29(35)24-7-5-6-8-25(24)31-27(33)18-32-26-16-23(36-3)14-11-20(26)15-21(28(32)34)17-30-22-12-9-19(2)10-13-22/h5-16,30H,4,17-18H2,1-3H3,(H,31,33)

InChI Key

DWOFMDWYTPRBOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.42

Polar Surface Area

76.325

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E894-1199 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E894-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-1199?
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What is the minimum amount of E894-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-1199
  • 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 E894-1199 available by request