E534-0022 Screening compound: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

E534-0022 Screening compound: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
E534-0022 Screening compound: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E534-0022
2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

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

E534-0022

Molecular Formula

C18H21NS (C18 H21 NS)

Compound Name

2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(4567-tetrahydro-1-benzothiophen-3-yl)methyl]-1234-tetrahydroisoquinoline

SMILES

C(c1csc2c1CCCC2)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C18H21NS/c1-2-6-15-11-19(10-9-14(15)5-1)12-16-13-20-18-8-4-3-7-17(16)18/h1-2,5-6,13H,3-4,7-12H2

InChI Key

QXVFBIDLJKZURQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-4.48

Polar Surface Area

4.572

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with E534-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E534-0022?
Check Price and Availability of E534-0022, 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 E534-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E534-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E534-0022
  • 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 E534-0022 available by request