5504-0150 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine

5504-0150 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine
5504-0150 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0150
N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine

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

5504-0150

Molecular Formula

C21H28N6OS (C21 H28 N6 OS)

Compound Name

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

IUPAC name

8-(morpholin-4-yl)-N-pentyl-11-thia-9141516-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCCCNc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nnn1

InChI

InChI=1S/C21H28N6OS/c1-2-3-6-9-22-19-18-17(24-26-25-19)16-14-7-4-5-8-15(14)20(23-21(16)29-18)27-10-12-28-13-11-27/h2-13H2,1H3,(H,22,24,25)

InChI Key

IBXLZWLGHNLHCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.127

Distribution Coefficient, logD

5.127

Water Solubility, LogSw

-5.00

Polar Surface Area

67.531

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

5504-0150 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Autophagy-Targeted Library (4564 compounds)

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5504-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0150?
Check Price and Availability of 5504-0150, 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 5504-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0150
  • 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 5504-0150 available by request