4665-0617 Screening compound: N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

4665-0617 Screening compound: N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide
4665-0617 Screening compound: N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4665-0617
N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

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

4665-0617

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide

SMILES

Cc(cc1)cc(N(CC(N(CC2)Cc3c2cccc3)=O)S(c2ccccc2)(=O)=O)c1OC

InChI

InChI=1S/C25H26N2O4S/c1-19-12-13-24(31-2)23(16-19)27(32(29,30)22-10-4-3-5-11-22)18-25(28)26-15-14-20-8-6-7-9-21(20)17-26/h3-13,16H,14-15,17-18H2,1-2H3

InChI Key

YIEGAWMACSWBCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02918814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.09

Polar Surface Area

55.176

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4665-0617 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4665-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4665-0617?
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What is the minimum amount of 4665-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4665-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4665-0617
  • 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 4665-0617 available by request