8017-4149 Screening compound: 5H-chromeno[2,3-c]isoquinolin-5-one

8017-4149 Screening compound: 5H-chromeno[2,3-c]isoquinolin-5-one
8017-4149 Screening compound: 5H-chromeno[2,3-c]isoquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4149
5H-chromeno[2,3-c]isoquinolin-5-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

8017-4149

Molecular Formula

C16H9NO2 (C16 H9 NO2)

Compound Name

5H-chromeno[2,3-c]isoquinolin-5-one

IUPAC name

7H-5-oxa-6-azatetraphen-7-one

SMILES

O=C1N=C2Oc(cccc3)c3C=C2c2c1cccc2

InChI

InChI=1S/C16H9NO2/c18-15-12-7-3-2-6-11(12)13-9-10-5-1-4-8-14(10)19-16(13)17-15/h1-9H

InChI Key

JLKGOYDXVVKMFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.91

Polar Surface Area

29.690

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-4149 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4149?
Check Price and Availability of 8017-4149, 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 8017-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4149
  • 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 8017-4149 available by request