K402-0517 Screening compound: 1-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K402-0517 Screening compound: 1-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K402-0517 Screening compound: 1-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0517
1-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-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

K402-0517

Molecular Formula

C21H29N5 (C21 H29 N5)

Compound Name

1-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

1-(24-dimethylphenyl)-NN-bis(2-methylpropyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CC(C)CN(CC(C)C)c1ncnc2c1cnn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C21H29N5/c1-14(2)11-25(12-15(3)4)20-18-10-24-26(21(18)23-13-22-20)19-8-7-16(5)9-17(19)6/h7-10,13-15H,11-12H2,1-6H3

InChI Key

QLMGUTMPFXNXME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.310

Distribution Coefficient, logD

6.306

Water Solubility, LogSw

-5.62

Polar Surface Area

37.394

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

K402-0517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K402-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0517?
Check Price and Availability of K402-0517, 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 K402-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0517
  • 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 K402-0517 available by request