5700-0142 Screening compound: 6-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-N~1~-(3-pyridylmethyl)hexanamide

5700-0142 Screening compound: 6-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-N~1~-(3-pyridylmethyl)hexanamide
5700-0142 Screening compound: 6-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-N~1~-(3-pyridylmethyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5700-0142
6-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-N~1~-(3-pyridylmethyl)hexanamide

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

5700-0142

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

6-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]-N~1~-(3-pyridylmethyl)hexanamide

IUPAC name

6-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}-N-[(pyridin-3-yl)methyl]hexanamide

SMILES

O=C(CCCCCN(C(c1c2c3cccc2ccc1)=O)C3=O)NCc1cnccc1

InChI

InChI=1S/C24H23N3O3/c28-21(26-16-17-7-6-13-25-15-17)12-2-1-3-14-27-23(29)19-10-4-8-18-9-5-11-20(22(18)19)24(27)30/h4-11,13,15H,1-3,12,14,16H2,(H,26,28)

InChI Key

CYKCXLPYVPTZBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.88

Polar Surface Area

62.821

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5700-0142 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5700-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5700-0142?
Check Price and Availability of 5700-0142, 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 5700-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5700-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5700-0142
  • 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 5700-0142 available by request