5225-6160 Screening compound: 6,7-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

5225-6160 Screening compound: 6,7-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
5225-6160 Screening compound: 6,7-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-6160
6,7-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-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

5225-6160

Molecular Formula

C24H25NO4S (C24 H25 NO4 S)

Compound Name

6,7-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-dimethoxy-2-(4-methylbenzenesulfonyl)-1-phenyl-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)ccc1S(N(CC1)C(c2ccccc2)c(cc2OC)c1cc2OC)(=O)=O

InChI

InChI=1S/C24H25NO4S/c1-17-9-11-20(12-10-17)30(26,27)25-14-13-19-15-22(28-2)23(29-3)16-21(19)24(25)18-7-5-4-6-8-18/h4-12,15-16,24H,13-14H2,1-3H3/t24-/m0/s1

InChI Key

HTLMLTUMQYYOHL-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00783536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.37

Polar Surface Area

46.962

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5225-6160 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5225-6160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-6160?
Check Price and Availability of 5225-6160, 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 5225-6160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-6160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-6160
  • 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 5225-6160 available by request