5504-0174 Screening compound: 4-[8-(heptylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine

5504-0174 Screening compound: 4-[8-(heptylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl]morpholine
5504-0174 Screening compound: 4-[8-(heptylsulfanyl)-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 5504-0174
4-[8-(heptylsulfanyl)-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

5504-0174

Molecular Formula

C24H32N4OS2 (C24 H32 N4 OS2)

Compound Name

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

IUPAC name

13-(heptylsulfanyl)-8-(morpholin-4-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CCCCCCCSc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C24H32N4OS2/c1-2-3-4-5-8-15-30-24-21-20(25-16-26-24)19-17-9-6-7-10-18(17)22(27-23(19)31-21)28-11-13-29-14-12-28/h16H,2-15H2,1H3

InChI Key

YVJQAYZUOGGZIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.680

Distribution Coefficient, logD

7.680

Water Solubility, LogSw

-6.12

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

62.50

References: we are preparing a list of scientific research reports with 5504-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0174?
Check Price and Availability of 5504-0174, 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 5504-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0174
  • 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 5504-0174 available by request