3683-0513 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine

3683-0513 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine
3683-0513 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0513
N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-pentylamine

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

3683-0513

Molecular Formula

C22H29N5OS (C22 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCCNc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C22H29N5OS/c1-2-3-6-9-23-20-19-18(24-14-25-20)17-15-7-4-5-8-16(15)21(26-22(17)29-19)27-10-12-28-13-11-27/h14H,2-13H2,1H3,(H,23,24,25)

InChI Key

KRHPZNUWRHKQCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-5.57

Polar Surface Area

52.456

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

3683-0513 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3683-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0513?
Check Price and Availability of 3683-0513, 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 3683-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0513
  • 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 3683-0513 available by request