8018-7307 Screening compound: 5-amino-1H,3H-benzo[de]isochromene-1,3-dione

8018-7307 Screening compound: 5-amino-1H,3H-benzo[de]isochromene-1,3-dione
8018-7307 Screening compound: 5-amino-1H,3H-benzo[de]isochromene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7307
5-amino-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

8018-7307

Molecular Formula

C12H7NO3 (C12 H7 NO3)

Compound Name

5-amino-1H,3H-benzo[de]isochromene-1,3-dione

IUPAC name

7-amino-3-oxatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

Nc1cc2cccc(C(OC3=O)=O)c2c3c1

InChI

InChI=1S/C12H7NO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H,13H2

InChI Key

JUFBFZSMKMBCBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00211073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-3.23

Polar Surface Area

55.531

Acid Dissociation Constant (pKa)

20.65

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-7307 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7307?
Check Price and Availability of 8018-7307, 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 8018-7307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7307
  • 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 8018-7307 available by request