E730-2054 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

E730-2054 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
E730-2054 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-2054
ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-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

E730-2054

Molecular Formula

C25H33NO6S (C25 H33 NO6 S)

Compound Name

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

IUPAC name

ethyl 2-[2-(24-dimethylbenzenesulfonyl)-67-diethoxy-1234-tetrahydroisoquinolin-1-yl]acetate

SMILES

CCOC(CC(c(cc1OCC)c(CC2)cc1OCC)N2S(c1c(C)cc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H33NO6S/c1-6-30-22-14-19-11-12-26(33(28,29)24-10-9-17(4)13-18(24)5)21(16-25(27)32-8-3)20(19)15-23(22)31-7-2/h9-10,13-15,21H,6-8,11-12,16H2,1-5H3/t21-/m0/s1

InChI Key

SAHONAURMHGJGJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14913337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-3.90

Polar Surface Area

66.504

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E730-2054 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E730-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-2054?
Check Price and Availability of E730-2054, 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 E730-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-2054
  • 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 E730-2054 available by request