6583-0070 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine

6583-0070 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine
6583-0070 Screening compound: N-(5-morpholino-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 6583-0070
N-(5-morpholino-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

6583-0070

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

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

IUPAC name

8-(morpholin-4-yl)-N-(2-phenylethyl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-17912(17)1315-hexaen-13-amine

SMILES

C(CNc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1)c1ccccc1

InChI

InChI=1S/C25H27N5OS/c1-2-6-17(7-3-1)10-11-26-23-22-21(27-16-28-23)20-18-8-4-5-9-19(18)24(29-25(20)32-22)30-12-14-31-15-13-30/h1-3,6-7,16H,4-5,8-15H2,(H,26,27,28)

InChI Key

BLEUZQGNTNEDGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.589

Water Solubility, LogSw

-6.04

Polar Surface Area

52.185

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6583-0070 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6583-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0070?
Check Price and Availability of 6583-0070, 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 6583-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0070
  • 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 6583-0070 available by request