K402-0361 Screening compound: 1-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K402-0361 Screening compound: 1-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K402-0361 Screening compound: 1-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0361
1-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)-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

K402-0361

Molecular Formula

C21H21N5 (C21 H21 N5)

Compound Name

1-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

1-(3-methylphenyl)-N-(246-trimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cc1cccc(-n2ncc3c2ncnc3Nc2c(C)cc(C)cc2C)c1

InChI

InChI=1S/C21H21N5/c1-13-6-5-7-17(10-13)26-21-18(11-24-26)20(22-12-23-21)25-19-15(3)8-14(2)9-16(19)4/h5-12H,1-4H3,(H,22,23,25)

InChI Key

XYFAZOFTXFJWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.58

Polar Surface Area

42.632

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K402-0361 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K402-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0361?
Check Price and Availability of K402-0361, 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 K402-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0361
  • 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 K402-0361 available by request