8017-1393 Screening compound: 2-[(3-chlorobenzyl)oxy]-3-[(E)-2-(2,4-dichlorophenyl)-1-ethenyl]quinoxaline

8017-1393 Screening compound: 2-[(3-chlorobenzyl)oxy]-3-[(E)-2-(2,4-dichlorophenyl)-1-ethenyl]quinoxaline
8017-1393 Screening compound: 2-[(3-chlorobenzyl)oxy]-3-[(E)-2-(2,4-dichlorophenyl)-1-ethenyl]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1393
2-[(3-chlorobenzyl)oxy]-3-[(E)-2-(2,4-dichlorophenyl)-1-ethenyl]quinoxaline

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

8017-1393

Molecular Formula

C23H15Cl3N2O (C23 H15 Cl3 N2 O)

Compound Name

2-[(3-chlorobenzyl)oxy]-3-[(E)-2-(2,4-dichlorophenyl)-1-ethenyl]quinoxaline

IUPAC name

2-[(3-chlorophenyl)methoxy]-3-[(1E)-2-(24-dichlorophenyl)ethenyl]quinoxaline

SMILES

Clc1cccc(COc2nc3ccccc3nc2/C=C/c(ccc(Cl)c2)c2Cl)c1

InChI

InChI=1S/C23H15Cl3N2O/c24-17-5-3-4-15(12-17)14-29-23-22(27-20-6-1-2-7-21(20)28-23)11-9-16-8-10-18(25)13-19(16)26/h1-13H,14H2

InChI Key

LZNYSEQTPGZFJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.531

Distribution Coefficient, logD

8.531

Water Solubility, LogSw

-6.83

Polar Surface Area

26.151

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

8017-1393 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1393?
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What is the minimum amount of 8017-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1393
  • 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 8017-1393 available by request