4491-0985 Screening compound: 1-{3-[(2,6-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one

4491-0985 Screening compound: 1-{3-[(2,6-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one
4491-0985 Screening compound: 1-{3-[(2,6-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0985
1-{3-[(2,6-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one

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

4491-0985

Molecular Formula

C19H18N2O (C19 H18 N2 O)

Compound Name

1-{3-[(2,6-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one

IUPAC name

1-{3-[(26-dimethylquinolin-4-yl)amino]phenyl}ethan-1-one

SMILES

CC(c1cc(Nc2cc(C)nc3ccc(C)cc23)ccc1)=O

InChI

InChI=1S/C19H18N2O/c1-12-7-8-18-17(9-12)19(10-13(2)20-18)21-16-6-4-5-15(11-16)14(3)22/h4-11H,1-3H3,(H,20,21)

InChI Key

CJJQRRYKQAEAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-4.60

Polar Surface Area

30.417

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4491-0985 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4491-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0985?
Check Price and Availability of 4491-0985, 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 4491-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0985
  • 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 4491-0985 available by request