2159-0549 Screening compound: 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

2159-0549 Screening compound: 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
2159-0549 Screening compound: 3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0549
3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

2159-0549

Molecular Formula

C15H11Cl2NO3 (C15 H11 Cl2 NO3)

Compound Name

3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

IUPAC name

34-dichloro-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(c(cc1)cc(Cl)c1Cl)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C15H11Cl2NO3/c16-11-3-1-9(7-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)

InChI Key

VYYLAABGYUJDPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.65

Polar Surface Area

39.153

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2159-0549 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2159-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0549?
Check Price and Availability of 2159-0549, 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 2159-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0549
  • 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 2159-0549 available by request