0660-0058 Screening compound: 6-chloro-2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

0660-0058 Screening compound: 6-chloro-2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
0660-0058 Screening compound: 6-chloro-2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0660-0058
6-chloro-2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-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

0660-0058

Molecular Formula

C18H10ClNO3 (C18 H10 ClNO3)

Compound Name

6-chloro-2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

8-chloro-3-(3-hydroxyphenyl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

Oc1cccc(N(C(c(cccc23)c2c2ccc3Cl)=O)C2=O)c1

InChI

InChI=1S/C18H10ClNO3/c19-15-8-7-14-16-12(15)5-2-6-13(16)17(22)20(18(14)23)10-3-1-4-11(21)9-10/h1-9,21H

InChI Key

RKACAJLMSVZBNK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.60

Polar Surface Area

45.859

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0660-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0660-0058?
Check Price and Availability of 0660-0058, 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 0660-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0660-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0660-0058
  • 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 0660-0058 available by request