0701-0014 Screening compound: 6-piperazino-1H,3H-benzo[de]isochromene-1,3-dione

0701-0014 Screening compound: 6-piperazino-1H,3H-benzo[de]isochromene-1,3-dione
0701-0014 Screening compound: 6-piperazino-1H,3H-benzo[de]isochromene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0701-0014
6-piperazino-1H,3H-benzo[de]isochromene-1,3-dione

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

0701-0014

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

6-piperazino-1H,3H-benzo[de]isochromene-1,3-dione

IUPAC name

8-(piperazin-1-yl)-3-oxatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

O=C(c(cccc12)c1c1ccc2N2CCNCC2)OC1=O

InChI

InChI=1S/C16H14N2O3/c19-15-11-3-1-2-10-13(18-8-6-17-7-9-18)5-4-12(14(10)11)16(20)21-15/h1-5,17H,6-9H2

InChI Key

IKBYYNQFDVLHBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00719002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

0.737

Water Solubility, LogSw

-2.95

Polar Surface Area

49.837

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0701-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0701-0014?
Check Price and Availability of 0701-0014, 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 0701-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0701-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0701-0014
  • 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 0701-0014 available by request