6857-0022 Screening compound: 8-(4-methylpiperidino)-5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

6857-0022 Screening compound: 8-(4-methylpiperidino)-5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
6857-0022 Screening compound: 8-(4-methylpiperidino)-5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6857-0022
8-(4-methylpiperidino)-5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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

6857-0022

Molecular Formula

C24H31N5S (C24 H31 N5 S)

Compound Name

8-(4-methylpiperidino)-5-piperidino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

IUPAC name

13-(4-methylpiperidin-1-yl)-8-(piperidin-1-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(CC1)CCN1c1c2sc3nc(N4CCCCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C24H31N5S/c1-16-9-13-29(14-10-16)23-21-20(25-15-26-23)19-17-7-3-4-8-18(17)22(27-24(19)30-21)28-11-5-2-6-12-28/h15-16H,2-14H2,1H3

InChI Key

LJLHQTJZZYIFPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.869

Distribution Coefficient, logD

6.840

Water Solubility, LogSw

-6.01

Polar Surface Area

36.946

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

6857-0022 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6857-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6857-0022?
Check Price and Availability of 6857-0022, 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 6857-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6857-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6857-0022
  • 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 6857-0022 available by request