C053-0728 Screening compound: ethyl 7-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-methoxyquinoline-3-carboxylate

C053-0728 Screening compound: ethyl 7-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-methoxyquinoline-3-carboxylate
C053-0728 Screening compound: ethyl 7-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-methoxyquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C053-0728
ethyl 7-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-methoxyquinoline-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

C053-0728

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

ethyl 7-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-methoxyquinoline-3-carboxylate

IUPAC name

ethyl 7-chloro-4-[(23-dihydro-14-benzodioxin-6-yl)amino]-6-methoxyquinoline-3-carboxylate

SMILES

CCOC(c1cnc(cc(c(OC)c2)Cl)c2c1Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C21H19ClN2O5/c1-3-27-21(25)14-11-23-16-10-15(22)18(26-2)9-13(16)20(14)24-12-4-5-17-19(8-12)29-7-6-28-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,24)

InChI Key

YADLCQSDXXLMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.03

Polar Surface Area

60.815

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C053-0728 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C053-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C053-0728?
Check Price and Availability of C053-0728, 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 C053-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C053-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C053-0728
  • 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 C053-0728 available by request