6940-0130 Screening compound: N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine

6940-0130 Screening compound: N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-phenethylamine
6940-0130 Screening compound: N-(5-isopropyl-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 6940-0130
N-(5-isopropyl-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

6940-0130

Molecular Formula

C24H26N4S (C24 H26 N4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1c(CCCC2)c2c(c2ncnc(NCCc3ccccc3)c2s2)c2n1

InChI

InChI=1S/C24H26N4S/c1-15(2)20-18-11-7-6-10-17(18)19-21-22(29-24(19)28-20)23(27-14-26-21)25-13-12-16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,25,26,27)

InChI Key

LBGSEBVOUXHTFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

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

6.822

Distribution Coefficient, logD

6.820

Water Solubility, LogSw

-6.15

Polar Surface Area

41.661

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6940-0130 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 6940-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0130?
Check Price and Availability of 6940-0130, 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 6940-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0130
  • 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 6940-0130 available by request