4789-4610 Screening compound: 3-{[benzyl(ethyl)amino]methyl}-2,7,8-trimethylquinolin-4-ol

4789-4610 Screening compound: 3-{[benzyl(ethyl)amino]methyl}-2,7,8-trimethylquinolin-4-ol
4789-4610 Screening compound: 3-{[benzyl(ethyl)amino]methyl}-2,7,8-trimethylquinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4610
3-{[benzyl(ethyl)amino]methyl}-2,7,8-trimethylquinolin-4-ol

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

4789-4610

Molecular Formula

C22H26N2O (C22 H26 N2 O)

Compound Name

3-{[benzyl(ethyl)amino]methyl}-2,7,8-trimethylquinolin-4-ol

IUPAC name

3-{[benzyl(ethyl)amino]methyl}-278-trimethylquinolin-4-ol

SMILES

CCN(Cc1ccccc1)Cc(c(C)nc1c(C)c(C)ccc11)c1O

InChI

InChI=1S/C22H26N2O/c1-5-24(13-18-9-7-6-8-10-18)14-20-17(4)23-21-16(3)15(2)11-12-19(21)22(20)25/h6-12H,5,13-14H2,1-4H3,(H,23,25)

InChI Key

UREBODTZKLAKPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.359

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.59

Polar Surface Area

28.832

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4789-4610 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with 4789-4610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4610?
Check Price and Availability of 4789-4610, 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 4789-4610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4610
  • 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 4789-4610 available by request