Y050-0861 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide

Y050-0861 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide
Y050-0861 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0861
N-(2H-1,3-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide

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

Y050-0861

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(N-ethylbenzenesulfonamido)acetamide

SMILES

CCN(CC(Nc(cc1)cc2c1OCO2)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C17H18N2O5S/c1-2-19(25(21,22)14-6-4-3-5-7-14)11-17(20)18-13-8-9-15-16(10-13)24-12-23-15/h3-10H,2,11-12H2,1H3,(H,18,20)

InChI Key

IMBFJRCRPUYXCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-3.10

Polar Surface Area

71.603

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y050-0861 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0861?
Check Price and Availability of Y050-0861, 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 Y050-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0861
  • 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 Y050-0861 available by request