3389-0968 Screening compound: 2-(2,4-dichlorophenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

3389-0968 Screening compound: 2-(2,4-dichlorophenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one
3389-0968 Screening compound: 2-(2,4-dichlorophenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-0968
2-(2,4-dichlorophenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

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

3389-0968

Molecular Formula

C27H27Cl2NO2 (C27 H27 Cl2 NO2)

Compound Name

2-(2,4-dichlorophenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

IUPAC name

2-(24-dichlorophenoxy)-1-[224-trimethyl-4-(4-methylphenyl)-1234-tetrahydroquinolin-1-yl]ethan-1-one

SMILES

CC(C)(CC1(C)c2ccc(C)cc2)N(C(COc(ccc(Cl)c2)c2Cl)=O)c2c1cccc2

InChI

InChI=1S/C27H27Cl2NO2/c1-18-9-11-19(12-10-18)27(4)17-26(2,3)30(23-8-6-5-7-21(23)27)25(31)16-32-24-14-13-20(28)15-22(24)29/h5-15H,16-17H2,1-4H3/t27-/m0/s1

InChI Key

UMNLFIAHDUDXLP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01068126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.42

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

6.821

Distribution Coefficient, logD

6.821

Water Solubility, LogSw

-6.14

Polar Surface Area

21.111

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

3389-0968 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3389-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0968?
Check Price and Availability of 3389-0968, 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 3389-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0968
  • 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 3389-0968 available by request