8013-0556 Screening compound: 6,7-dimethoxy-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

8013-0556 Screening compound: 6,7-dimethoxy-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
8013-0556 Screening compound: 6,7-dimethoxy-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0556
6,7-dimethoxy-2-(4-methoxybenzenesulfonyl)-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

8013-0556

Molecular Formula

C18H21NO5S (C18 H21 NO5 S)

Compound Name

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

IUPAC name

67-dimethoxy-2-(4-methoxybenzenesulfonyl)-1234-tetrahydroisoquinoline

SMILES

COc(cc1)ccc1S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O

InChI

InChI=1S/C18H21NO5S/c1-22-15-4-6-16(7-5-15)25(20,21)19-9-8-13-10-17(23-2)18(24-3)11-14(13)12-19/h4-7,10-11H,8-9,12H2,1-3H3

InChI Key

NIEYAXYHSMXAJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.39

Polar Surface Area

54.416

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8013-0556 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0556?
Check Price and Availability of 8013-0556, 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 8013-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0556
  • 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 8013-0556 available by request