5867-0955 Screening compound: 2-(3-chlorobenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

5867-0955 Screening compound: 2-(3-chlorobenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
5867-0955 Screening compound: 2-(3-chlorobenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-0955
2-(3-chlorobenzenesulfonyl)-6,7-dimethoxy-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

5867-0955

Molecular Formula

C17H18ClNO4S (C17 H18 ClNO4 S)

Compound Name

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

IUPAC name

2-(3-chlorobenzenesulfonyl)-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2)S(c3cccc(Cl)c3)(=O)=O)c2cc1OC

InChI

InChI=1S/C17H18ClNO4S/c1-22-16-8-12-6-7-19(11-13(12)9-17(16)23-2)24(20,21)15-5-3-4-14(18)10-15/h3-5,8-10H,6-7,11H2,1-2H3

InChI Key

OOYRNCMOFJAQCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.74

Polar Surface Area

46.872

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5867-0955 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 5867-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-0955?
Check Price and Availability of 5867-0955, 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 5867-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-0955
  • 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 5867-0955 available by request