8019-6800 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N~3~-(4-methoxyphenyl)nicotinamide

8019-6800 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N~3~-(4-methoxyphenyl)nicotinamide
8019-6800 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N~3~-(4-methoxyphenyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6800
2-(1,3-benzodioxol-5-yloxy)-N~3~-(4-methoxyphenyl)nicotinamide

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

8019-6800

Molecular Formula

C20H16N2O5 (C20 H16 N2 O5)

Compound Name

2-(1,3-benzodioxol-5-yloxy)-N~3~-(4-methoxyphenyl)nicotinamide

IUPAC name

2-(2H-13-benzodioxol-5-yloxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide

SMILES

COc(cc1)ccc1NC(c(cccn1)c1Oc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H16N2O5/c1-24-14-6-4-13(5-7-14)22-19(23)16-3-2-10-21-20(16)27-15-8-9-17-18(11-15)26-12-25-17/h2-11H,12H2,1H3,(H,22,23)

InChI Key

OOQKKUJFCWRMGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.01

Polar Surface Area

64.542

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-6800 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8019-6800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6800?
Check Price and Availability of 8019-6800, 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 8019-6800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6800
  • 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 8019-6800 available by request