6481-7348 Screening compound: 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one

6481-7348 Screening compound: 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one
6481-7348 Screening compound: 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7348
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one

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

6481-7348

Molecular Formula

C23H22N4O3S2 (C23 H22 N4 O3 S2)

Compound Name

1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)-2-({5-phenyl-[124]triazolo[34-b][13]thiazol-3-yl}sulfanyl)ethan-1-one

SMILES

COc1cc(CCN(C2)C(CSc3nnc4scc(-c5ccccc5)n34)=O)c2cc1OC

InChI

InChI=1S/C23H22N4O3S2/c1-29-19-10-16-8-9-26(12-17(16)11-20(19)30-2)21(28)14-32-23-25-24-22-27(23)18(13-31-22)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12,14H2,1-2H3

InChI Key

YPKSUHGEABSVST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.91

Polar Surface Area

53.101

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

6481-7348 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6481-7348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7348?
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What is the minimum amount of 6481-7348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7348
  • 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 6481-7348 available by request