2248-3456 Screening compound: ethyl 4-[6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

2248-3456 Screening compound: ethyl 4-[6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate
2248-3456 Screening compound: ethyl 4-[6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2248-3456
ethyl 4-[6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

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

2248-3456

Molecular Formula

C21H14ClNO4 (C21 H14 ClNO4)

Compound Name

ethyl 4-[6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

IUPAC name

ethyl 4-{8-chloro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c(cccc12)c1c1ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C21H14ClNO4/c1-2-27-21(26)12-6-8-13(9-7-12)23-19(24)15-5-3-4-14-17(22)11-10-16(18(14)15)20(23)25/h3-11H,2H2,1H3

InChI Key

KCUWMGRUIGEWCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.60

Polar Surface Area

48.996

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2248-3456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2248-3456?
Check Price and Availability of 2248-3456, 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 2248-3456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2248-3456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2248-3456
  • 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 2248-3456 available by request