3453-1352 Screening compound: 3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-4-ol

3453-1352 Screening compound: 3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-4-ol
3453-1352 Screening compound: 3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1352
3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-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

3453-1352

Molecular Formula

C21H26N2O (C21 H26 N2 O)

Compound Name

3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-4-ol

IUPAC name

3-{[butyl(ethyl)amino]methyl}-2-methylbenzo[h]quinolin-4-ol

SMILES

CCCCN(CC)Cc(c(C)nc1c(cccc2)c2ccc11)c1O

InChI

InChI=1S/C21H26N2O/c1-4-6-13-23(5-2)14-19-15(3)22-20-17-10-8-7-9-16(17)11-12-18(20)21(19)24/h7-12H,4-6,13-14H2,1-3H3,(H,22,24)

InChI Key

KEUVVAPIVWIGCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-6.25

Polar Surface Area

28.810

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3453-1352 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3453-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1352?
Check Price and Availability of 3453-1352, 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 3453-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1352
  • 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 3453-1352 available by request