7245-0243 Screening compound: N-butyl-N-methyl-N-(5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

7245-0243 Screening compound: N-butyl-N-methyl-N-(5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
7245-0243 Screening compound: N-butyl-N-methyl-N-(5-piperidino-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 7245-0243
N-butyl-N-methyl-N-(5-piperidino-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

7245-0243

Molecular Formula

C23H31N5S (C23 H31 N5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)c1c2sc3nc(N4CCCCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C23H31N5S/c1-3-4-12-27(2)22-20-19(24-15-25-22)18-16-10-6-7-11-17(16)21(26-23(18)29-20)28-13-8-5-9-14-28/h15H,3-14H2,1-2H3

InChI Key

LVNLWYZNWPCFDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.475

Distribution Coefficient, logD

6.434

Water Solubility, LogSw

-6.02

Polar Surface Area

36.698

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

7245-0243 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7245-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7245-0243?
Check Price and Availability of 7245-0243, 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 7245-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7245-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7245-0243
  • 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 7245-0243 available by request