3390-0163 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-methoxybenzoate

3390-0163 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-methoxybenzoate
3390-0163 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0163
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-methoxybenzoate

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

3390-0163

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-methoxybenzoate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 2-methoxybenzoate

SMILES

CC1(C)Nc(ccc(OC(c(cccc2)c2OC)=O)c2)c2C(C)=C1

InChI

InChI=1S/C20H21NO3/c1-13-12-20(2,3)21-17-10-9-14(11-16(13)17)24-19(22)15-7-5-6-8-18(15)23-4/h5-12,21H,1-4H3

InChI Key

MTIQGFJEGKOVQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.65

Polar Surface Area

39.445

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3390-0163 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3390-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0163?
Check Price and Availability of 3390-0163, 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 3390-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0163
  • 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 3390-0163 available by request