Y050-0632 Screening compound: 3-chloro-N-cyclohexyl-4-methoxy-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

Y050-0632 Screening compound: 3-chloro-N-cyclohexyl-4-methoxy-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide
Y050-0632 Screening compound: 3-chloro-N-cyclohexyl-4-methoxy-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0632
3-chloro-N-cyclohexyl-4-methoxy-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

Y050-0632

Molecular Formula

C24H29ClN2O4S (C24 H29 ClN2 O4 S)

Compound Name

3-chloro-N-cyclohexyl-4-methoxy-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

IUPAC name

3-chloro-N-cyclohexyl-4-methoxy-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

SMILES

COc(ccc(S(N(CC(N(CC1)Cc2c1cccc2)=O)C1CCCCC1)(=O)=O)c1)c1Cl

InChI

InChI=1S/C24H29ClN2O4S/c1-31-23-12-11-21(15-22(23)25)32(29,30)27(20-9-3-2-4-10-20)17-24(28)26-14-13-18-7-5-6-8-19(18)16-26/h5-8,11-12,15,20H,2-4,9-10,13-14,16-17H2,1H3

InChI Key

NPWCZPFSQUXHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.75

Polar Surface Area

55.310

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

Y050-0632 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y050-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0632?
Check Price and Availability of Y050-0632, 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 Y050-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0632
  • 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 Y050-0632 available by request