4789-4598 Screening compound: 3-[(azepan-1-yl)methyl]-2,7,8-trimethylquinolin-4-ol

4789-4598 Screening compound: 3-[(azepan-1-yl)methyl]-2,7,8-trimethylquinolin-4-ol
4789-4598 Screening compound: 3-[(azepan-1-yl)methyl]-2,7,8-trimethylquinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4598
3-[(azepan-1-yl)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

4789-4598

Molecular Formula

C19H26N2O (C19 H26 N2 O)

Compound Name

3-[(azepan-1-yl)methyl]-2,7,8-trimethylquinolin-4-ol

IUPAC name

3-[(azepan-1-yl)methyl]-278-trimethylquinolin-4-ol

SMILES

Cc1ccc2c(O)c(CN3CCCCCC3)c(C)nc2c1C

InChI

InChI=1S/C19H26N2O/c1-13-8-9-16-18(14(13)2)20-15(3)17(19(16)22)12-21-10-6-4-5-7-11-21/h8-9H,4-7,10-12H2,1-3H3,(H,20,22)

InChI Key

FSTWYAXJPYDRBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.40

Polar Surface Area

29.459

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

4789-4598 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4789-4598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4598?
Check Price and Availability of 4789-4598, 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 4789-4598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4598
  • 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 4789-4598 available by request