Y050-0663 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

Y050-0663 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
Y050-0663 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0663
N-(2H-1,3-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

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

Y050-0663

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

SMILES

CCNS(c1ccc(CCC(Nc(cc2)cc3c2OCO3)=O)cc1)(=O)=O

InChI

InChI=1S/C18H20N2O5S/c1-2-19-26(22,23)15-7-3-13(4-8-15)5-10-18(21)20-14-6-9-16-17(11-14)25-12-24-16/h3-4,6-9,11,19H,2,5,10,12H2,1H3,(H,20,21)

InChI Key

IPCYIKGVSVAYSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06626401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.48

Polar Surface Area

81.887

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y050-0663 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y050-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0663?
Check Price and Availability of Y050-0663, 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 Y050-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0663
  • 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 Y050-0663 available by request