6583-0102 Screening compound: 4-[8-(benzylsulfanyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

6583-0102 Screening compound: 4-[8-(benzylsulfanyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine
6583-0102 Screening compound: 4-[8-(benzylsulfanyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0102
4-[8-(benzylsulfanyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

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

6583-0102

Molecular Formula

C23H23N5OS2 (C23 H23 N5 OS2)

Compound Name

4-[8-(benzylsulfanyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

IUPAC name

13-(benzylsulfanyl)-8-(morpholin-4-yl)-11-thia-9141516-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-17912(17)1315-hexaene

SMILES

C(c1ccccc1)Sc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nnn1

InChI

InChI=1S/C23H23N5OS2/c1-2-6-15(7-3-1)14-30-23-20-19(25-27-26-23)18-16-8-4-5-9-17(16)21(24-22(18)31-20)28-10-12-29-13-11-28/h1-3,6-7H,4-5,8-14H2

InChI Key

HESOMXOFVYSEML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03011193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.45

Polar Surface Area

56.403

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

6583-0102 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6583-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0102?
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What is the minimum amount of 6583-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0102
  • 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 6583-0102 available by request