5921-0139 Screening compound: N-(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine

5921-0139 Screening compound: N-(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine
5921-0139 Screening compound: N-(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0139
N-(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine

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

5921-0139

Molecular Formula

C23H24N4S (C23 H24 N4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(CCCC2)c2c(c2ncnc(NCCc3ccccc3)c2s2)c2n1

InChI

InChI=1S/C23H24N4S/c1-2-18-16-10-6-7-11-17(16)19-20-21(28-23(19)27-18)22(26-14-25-20)24-13-12-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,24,25,26)

InChI Key

KAYJBMYPENHWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01879107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.977

Water Solubility, LogSw

-5.95

Polar Surface Area

42.156

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

5921-0139 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5921-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0139?
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What is the minimum amount of 5921-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0139
  • 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 5921-0139 available by request