Y050-0076 Screening compound: 2,5-dimethoxy-N-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

Y050-0076 Screening compound: 2,5-dimethoxy-N-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide
Y050-0076 Screening compound: 2,5-dimethoxy-N-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0076
2,5-dimethoxy-N-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

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

Y050-0076

Molecular Formula

C20H24N2O5S (C20 H24 N2 O5 S)

Compound Name

2,5-dimethoxy-N-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

IUPAC name

25-dimethoxy-N-methyl-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

SMILES

CN(CC(N(CC1)Cc2c1cccc2)=O)S(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C20H24N2O5S/c1-21(28(24,25)19-12-17(26-2)8-9-18(19)27-3)14-20(23)22-11-10-15-6-4-5-7-16(15)13-22/h4-9,12H,10-11,13-14H2,1-3H3

InChI Key

KPZCMHHVADLMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05800442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-2.90

Polar Surface Area

64.031

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y050-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0076?
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What is the minimum amount of Y050-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0076
  • 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 Y050-0076 available by request