5504-0149 Screening compound: N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

5504-0149 Screening compound: N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
5504-0149 Screening compound: N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0149
N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

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

5504-0149

Molecular Formula

C24H34N6OS (C24 H34 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CCCC)c1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nnn1

InChI

InChI=1S/C24H34N6OS/c1-3-5-11-29(12-6-4-2)23-21-20(26-28-27-23)19-17-9-7-8-10-18(17)22(25-24(19)32-21)30-13-15-31-16-14-30/h3-16H2,1-2H3

InChI Key

UQJNJAYVEVQTMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.439

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-5.89

Polar Surface Area

59.720

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

5504-0149 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5504-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0149?
Check Price and Availability of 5504-0149, 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 5504-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0149
  • 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 5504-0149 available by request