3643-2593 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carboxylate

3643-2593 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carboxylate
3643-2593 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2593
ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-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

3643-2593

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carboxylate

IUPAC name

ethyl 4-[(23-dihydro-14-benzodioxin-6-yl)amino]quinoline-3-carboxylate

SMILES

CCOC(c(cnc1ccccc11)c1Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C20H18N2O4/c1-2-24-20(23)15-12-21-16-6-4-3-5-14(16)19(15)22-13-7-8-17-18(11-13)26-10-9-25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)

InChI Key

FVNDGSXKACRQMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02072984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.15

Polar Surface Area

53.184

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3643-2593 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3643-2593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2593?
Check Price and Availability of 3643-2593, 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 3643-2593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2593
  • 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 3643-2593 available by request