2159-0534 Screening compound: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

2159-0534 Screening compound: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
2159-0534 Screening compound: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0534
3-chloro-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

2159-0534

Molecular Formula

C15H12ClNO3 (C15 H12 ClNO3)

Compound Name

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

IUPAC name

3-chloro-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(c1cccc(Cl)c1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C15H12ClNO3/c16-11-3-1-2-10(8-11)15(18)17-12-4-5-13-14(9-12)20-7-6-19-13/h1-5,8-9H,6-7H2,(H,17,18)

InChI Key

YYWHZYMINWWKPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00495132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.72

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

2.656

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.45

Polar Surface Area

39.153

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2159-0534 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2159-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0534?
Check Price and Availability of 2159-0534, 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 2159-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0534
  • 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 2159-0534 available by request