Y050-0064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-methyl2,5-dimethoxybenzenesulfonamido)acetamide

Y050-0064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-methyl2,5-dimethoxybenzenesulfonamido)acetamide
Y050-0064 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(N-methyl2,5-dimethoxybenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0064
N-(2H-1,3-benzodioxol-5-yl)-2-(N-methyl2,5-dimethoxybenzenesulfonamido)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

Y050-0064

Molecular Formula

C18H20N2O7S (C18 H20 N2 O7 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(N-methyl2,5-dimethoxybenzenesulfonamido)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(N-methyl25-dimethoxybenzenesulfonamido)acetamide

SMILES

CN(CC(Nc(cc1)cc2c1OCO2)=O)S(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C18H20N2O7S/c1-20(28(22,23)17-9-13(24-2)5-7-15(17)25-3)10-18(21)19-12-4-6-14-16(8-12)27-11-26-14/h4-9H,10-11H2,1-3H3,(H,19,21)

InChI Key

SMFMBUOZQQTRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05800416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-3.09

Polar Surface Area

88.242

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y050-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0064?
Check Price and Availability of Y050-0064, 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 Y050-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0064
  • 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 Y050-0064 available by request