6583-0089 Screening compound: 4-[8-(butylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

6583-0089 Screening compound: 4-[8-(butylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine
6583-0089 Screening compound: 4-[8-(butylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0089
4-[8-(butylsulfanyl)-1,2,3,4-tetrahydropyrimido[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

6583-0089

Molecular Formula

C21H26N4OS2 (C21 H26 N4 OS2)

Compound Name

4-[8-(butylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

IUPAC name

13-(butylsulfanyl)-8-(morpholin-4-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-17912(17)1315-hexaene

SMILES

CCCCSc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C21H26N4OS2/c1-2-3-12-27-21-18-17(22-13-23-21)16-14-6-4-5-7-15(14)19(24-20(16)28-18)25-8-10-26-11-9-25/h13H,2-12H2,1H3

InChI Key

LLLVSPRXWANBCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.007

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-5.63

Polar Surface Area

41.600

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

6583-0089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Human Receptors Annotated Library (5376 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:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 6583-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0089?
Check Price and Availability of 6583-0089, 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 6583-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0089
  • 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 6583-0089 available by request