5546-0139 Screening compound: N-(4-phenoxyphenyl)-2H-1,3-benzodioxole-5-carboxamide

5546-0139 Screening compound: N-(4-phenoxyphenyl)-2H-1,3-benzodioxole-5-carboxamide
5546-0139 Screening compound: N-(4-phenoxyphenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5546-0139
N-(4-phenoxyphenyl)-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

5546-0139

Molecular Formula

C20H15NO4 (C20 H15 NO4)

Compound Name

N-(4-phenoxyphenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(4-phenoxyphenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C20H15NO4/c22-20(14-6-11-18-19(12-14)24-13-23-18)21-15-7-9-17(10-8-15)25-16-4-2-1-3-5-16/h1-12H,13H2,(H,21,22)

InChI Key

YTIHMGQKGANCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01489512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

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

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.84

Polar Surface Area

47.193

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5546-0139 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5546-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5546-0139?
Check Price and Availability of 5546-0139, 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 5546-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5546-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5546-0139
  • 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 5546-0139 available by request