J036-0112 Screening compound: methyl 2-[2-(2-chlorobenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

J036-0112 Screening compound: methyl 2-[2-(2-chlorobenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
J036-0112 Screening compound: methyl 2-[2-(2-chlorobenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J036-0112
methyl 2-[2-(2-chlorobenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

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

J036-0112

Molecular Formula

C22H26ClNO6S (C22 H26 ClNO6 S)

Compound Name

methyl 2-[2-(2-chlorobenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

IUPAC name

methyl 2-[2-(2-chlorobenzenesulfonyl)-67-diethoxy-1234-tetrahydroisoquinolin-1-yl]acetate

SMILES

CCOc1cc(CCN(C2CC(OC)=O)S(c(cccc3)c3Cl)(=O)=O)c2cc1OCC

InChI

InChI=1S/C22H26ClNO6S/c1-4-29-19-12-15-10-11-24(31(26,27)21-9-7-6-8-17(21)23)18(14-22(25)28-3)16(15)13-20(19)30-5-2/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1

InChI Key

OJKNMPKFWJWHSP-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.42

Polar Surface Area

66.924

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with J036-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J036-0112?
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What is the minimum amount of J036-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J036-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J036-0112
  • 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 J036-0112 available by request