E730-1977 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

E730-1977 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
E730-1977 Screening compound: ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1977
ethyl 2-[2-(2,4-dimethylbenzenesulfonyl)-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

E730-1977

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CC(c1c(CC2)cccc1)N2S(c1c(C)cc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H25NO4S/c1-4-26-21(23)14-19-18-8-6-5-7-17(18)11-12-22(19)27(24,25)20-10-9-15(2)13-16(20)3/h5-10,13,19H,4,11-12,14H2,1-3H3/t19-/m0/s1

InChI Key

BLQZUMWXCGQAEL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14913321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.24

Polar Surface Area

52.083

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with E730-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1977?
Check Price and Availability of E730-1977, 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 E730-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1977
  • 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 E730-1977 available by request