8019-0515 Screening compound: N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

8019-0515 Screening compound: N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
8019-0515 Screening compound: N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0515
N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

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

8019-0515

Molecular Formula

C20H16N2O3 (C20 H16 N2 O3)

Compound Name

N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[(pyridin-2-yl)methyl]phenyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1ccc(Cc2ncccc2)cc1

InChI

InChI=1S/C20H16N2O3/c23-20(15-6-9-18-19(12-15)25-13-24-18)22-16-7-4-14(5-8-16)11-17-3-1-2-10-21-17/h1-10,12H,11,13H2,(H,22,23)

InChI Key

BVCBTQFUPRSIJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.60

Polar Surface Area

49.717

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-0515 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0515?
Check Price and Availability of 8019-0515, 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 8019-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0515
  • 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 8019-0515 available by request