5468-2600 Screening compound: methyl 2-methyl-4-[(2-methylphenyl)amino]quinoline-6-carboxylate

5468-2600 Screening compound: methyl 2-methyl-4-[(2-methylphenyl)amino]quinoline-6-carboxylate
5468-2600 Screening compound: methyl 2-methyl-4-[(2-methylphenyl)amino]quinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-2600
methyl 2-methyl-4-[(2-methylphenyl)amino]quinoline-6-carboxylate

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

5468-2600

Molecular Formula

C19H18N2O2 (C19 H18 N2 O2)

Compound Name

methyl 2-methyl-4-[(2-methylphenyl)amino]quinoline-6-carboxylate

IUPAC name

n/a

SMILES

Cc(cccc1)c1Nc1c(cc(cc2)C(OC)=O)c2nc(C)c1

InChI

InChI=1S/C19H18N2O2/c1-12-6-4-5-7-16(12)21-18-10-13(2)20-17-9-8-14(11-15(17)18)19(22)23-3/h4-11H,1-3H3,(H,20,21)

InChI Key

DVJXWHRDFKRHGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052379

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.30

Polar Surface Area

37.066

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5468-2600 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 5468-2600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-2600?
Check Price and Availability of 5468-2600, 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 5468-2600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-2600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-2600
  • 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 5468-2600 available by request