4149-0356 Screening compound: N-(2-morpholinoethyl)-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

4149-0356 Screening compound: N-(2-morpholinoethyl)-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
4149-0356 Screening compound: N-(2-morpholinoethyl)-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4149-0356
N-(2-morpholinoethyl)-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[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

4149-0356

Molecular Formula

C23H30N6O2S (C23 H30 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C(CN1CCOCC1)Nc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C23H30N6O2S/c1-2-4-17-16(3-1)18-19-20(32-23(18)27-22(17)29-9-13-31-14-10-29)21(26-15-25-19)24-5-6-28-7-11-30-12-8-28/h15H,1-14H2,(H,24,25,26)

InChI Key

NHESNZZVDYRBNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.17

Polar Surface Area

64.076

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

4149-0356 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Others
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 4149-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4149-0356?
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What is the minimum amount of 4149-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4149-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4149-0356
  • 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 4149-0356 available by request