K402-0639 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine

K402-0639 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
K402-0639 Screening compound: 4-[3,4-dihydro-1(2H)-quinolinyl]-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0639
4-[3,4-dihydro-1(2H)-quinolinyl]-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine

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

K402-0639

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

4-[3,4-dihydro-1(2H)-quinolinyl]-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine

IUPAC name

1-[1-(4-methoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-1234-tetrahydroquinoline

SMILES

COc(cc1)ccc1-n1ncc2c(N(CCC3)c4c3cccc4)ncnc12

InChI

InChI=1S/C21H19N5O/c1-27-17-10-8-16(9-11-17)26-21-18(13-24-26)20(22-14-23-21)25-12-4-6-15-5-2-3-7-19(15)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3

InChI Key

VTSMLBIZEXDQGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.39

Polar Surface Area

44.069

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

K402-0639 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K402-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0639?
Check Price and Availability of K402-0639, 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 K402-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0639
  • 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 K402-0639 available by request