E894-0255 Screening compound: N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide

E894-0255 Screening compound: N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide
E894-0255 Screening compound: N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0255
N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-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

E894-0255

Molecular Formula

C27H24ClN3O4 (C27 H24 ClN3 O4)

Compound Name

N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{7-oxo-8-[(phenylamino)methyl]-2H3H6H7H-[14]dioxino[23-g]quinolin-6-yl}acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CN(c(cc1OCCOc1c1)c1C=C1CNc2ccccc2)C1=O)=O

InChI

InChI=1S/C27H24ClN3O4/c1-17-7-8-22(21(28)11-17)30-26(32)16-31-23-14-25-24(34-9-10-35-25)13-18(23)12-19(27(31)33)15-29-20-5-3-2-4-6-20/h2-8,11-14,29H,9-10,15-16H2,1H3,(H,30,32)

InChI Key

VPSKBOMJHODNGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.95

Polar Surface Area

63.850

Acid Dissociation Constant (pKa)

10.77

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 E894-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0255?
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What is the minimum amount of E894-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0255
  • 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 E894-0255 available by request