4665-3999 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

4665-3999 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide
4665-3999 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-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 4665-3999
N-(5-chloro-2-methoxyphenyl)-4-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

4665-3999

Molecular Formula

C25H25ClN2O4S (C25 H25 ClN2 O4 S)

Compound Name

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

IUPAC name

N-(5-chloro-2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC(N(CC1)Cc2c1cccc2)=O)c(cc(cc1)Cl)c1OC)(=O)=O

InChI

InChI=1S/C25H25ClN2O4S/c1-18-7-10-22(11-8-18)33(30,31)28(23-15-21(26)9-12-24(23)32-2)17-25(29)27-14-13-19-5-3-4-6-20(19)16-27/h3-12,15H,13-14,16-17H2,1-2H3

InChI Key

DGIUAWIMIDLULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485

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

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.77

Polar Surface Area

55.176

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 4665-3999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4665-3999?
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What is the minimum amount of 4665-3999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4665-3999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4665-3999
  • 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 4665-3999 available by request