3807-4201 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate

3807-4201 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate
3807-4201 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4201
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate

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

3807-4201

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 34-dimethoxybenzoate

SMILES

CC1(C)Nc(ccc(OC(c(cc2)cc(OC)c2OC)=O)c2)c2C(C)=C1

InChI

InChI=1S/C21H23NO4/c1-13-12-21(2,3)22-17-8-7-15(11-16(13)17)26-20(23)14-6-9-18(24-4)19(10-14)25-5/h6-12,22H,1-5H3

InChI Key

XTNDQFHZAMBZPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.31

Polar Surface Area

47.076

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3807-4201 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 3807-4201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4201?
Check Price and Availability of 3807-4201, 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 3807-4201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4201
  • 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 3807-4201 available by request