8004-0453 Screening compound: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

8004-0453 Screening compound: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
8004-0453 Screening compound: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0453
1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

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

8004-0453

Molecular Formula

C18H19Cl3O2 (C18 H19 Cl3 O2)

Compound Name

1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

IUPAC name

1-ethoxy-4-[222-trichloro-1-(4-ethoxyphenyl)ethyl]benzene

SMILES

CCOc1ccc(C(C(Cl)(Cl)Cl)c(cc2)ccc2OCC)cc1

InChI

InChI=1S/C18H19Cl3O2/c1-3-22-15-9-5-13(6-10-15)17(18(19,20)21)14-7-11-16(12-8-14)23-4-2/h5-12,17H,3-4H2,1-2H3

InChI Key

RMWNXWAWVFPXNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00018838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.71

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-6.84

Polar Surface Area

14.214

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8004-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0453?
Check Price and Availability of 8004-0453, 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 8004-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0453
  • 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 8004-0453 available by request