0820-0758 Screening compound: 8-(1,3-benzodioxol-5-yl)-9H-benzo[f]indeno[2,1-c]quinolin-9-one

0820-0758 Screening compound: 8-(1,3-benzodioxol-5-yl)-9H-benzo[f]indeno[2,1-c]quinolin-9-one
0820-0758 Screening compound: 8-(1,3-benzodioxol-5-yl)-9H-benzo[f]indeno[2,1-c]quinolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0820-0758
8-(1,3-benzodioxol-5-yl)-9H-benzo[f]indeno[2,1-c]quinolin-9-one

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

0820-0758

Molecular Formula

C27H15NO3 (C27 H15 NO3)

Compound Name

8-(1,3-benzodioxol-5-yl)-9H-benzo[f]indeno[2,1-c]quinolin-9-one

IUPAC name

11-(2H-13-benzodioxol-5-yl)-12-azapentacyclo[11.8.0.0^{210}.0^{38}.0^{1621}]henicosa-1(13)2(10)3(8)46111416(21)1719-decaen-9-one

SMILES

O=C(c1c-2cccc1)c1c2c2c(cccc3)c3ccc2nc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C27H15NO3/c29-27-19-8-4-3-7-18(19)24-23-17-6-2-1-5-15(17)9-11-20(23)28-26(25(24)27)16-10-12-21-22(13-16)31-14-30-21/h1-13H,14H2

InChI Key

OJQVIZLBERUTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.276

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-7.17

Polar Surface Area

39.073

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

0820-0758 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0820-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0820-0758?
Check Price and Availability of 0820-0758, 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 0820-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0820-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0820-0758
  • 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 0820-0758 available by request