3390-0187 Screening compound: 2-(4-methoxyphenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one

3390-0187 Screening compound: 2-(4-methoxyphenoxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one
3390-0187 Screening compound: 2-(4-methoxyphenoxy)-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 3390-0187
2-(4-methoxyphenoxy)-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

3390-0187

Molecular Formula

C28H31NO3 (C28 H31 NO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1(C)c2ccc(C)cc2)N(C(COc(cc2)ccc2OC)=O)c2c1cccc2

InChI

InChI=1S/C28H31NO3/c1-20-10-12-21(13-11-20)28(4)19-27(2,3)29(25-9-7-6-8-24(25)28)26(30)18-32-23-16-14-22(31-5)15-17-23/h6-17H,18-19H2,1-5H3/t28-/m0/s1

InChI Key

FWJMBOSGBRJCKS-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01975727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.796

Distribution Coefficient, logD

5.796

Water Solubility, LogSw

-5.61

Polar Surface Area

28.568

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

3390-0187 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3390-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0187?
Check Price and Availability of 3390-0187, 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 3390-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0187
  • 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 3390-0187 available by request