E730-1971 Screening compound: ethyl 2-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

E730-1971 Screening compound: ethyl 2-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
E730-1971 Screening compound: ethyl 2-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E730-1971
ethyl 2-[2-(thiophene-2-sulfonyl)-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

E730-1971

Molecular Formula

C17H19NO4S2 (C17 H19 NO4 S2)

Compound Name

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

IUPAC name

ethyl 2-[2-(thiophene-2-sulfonyl)-1234-tetrahydroisoquinolin-1-yl]acetate

SMILES

CCOC(CC(c1c(CC2)cccc1)N2S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C17H19NO4S2/c1-2-22-16(19)12-15-14-7-4-3-6-13(14)9-10-18(15)24(20,21)17-8-5-11-23-17/h3-8,11,15H,2,9-10,12H2,1H3/t15-/m0/s1

InChI Key

NYVWZCIFHHSEJA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14913319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.47

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

3.336

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.39

Polar Surface Area

53.102

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with E730-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E730-1971?
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What is the minimum amount of E730-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E730-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E730-1971
  • 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 E730-1971 available by request