K402-0516 Screening compound: 1-(3-methylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K402-0516 Screening compound: 1-(3-methylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K402-0516 Screening compound: 1-(3-methylphenyl)-N,N-bis(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0516
1-(3-methylphenyl)-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

K402-0516

Molecular Formula

C20H27N5 (C20 H27 N5)

Compound Name

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

IUPAC name

1-(3-methylphenyl)-NN-bis(2-methylpropyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CC(C)CN(CC(C)C)c1ncnc2c1cnn2-c1cc(C)ccc1

InChI

InChI=1S/C20H27N5/c1-14(2)11-24(12-15(3)4)19-18-10-23-25(20(18)22-13-21-19)17-8-6-7-16(5)9-17/h6-10,13-15H,11-12H2,1-5H3

InChI Key

FAWIGMFOPOFXEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

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

5.703

Distribution Coefficient, logD

5.695

Water Solubility, LogSw

-5.67

Polar Surface Area

37.695

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

K402-0516 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K402-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0516?
Check Price and Availability of K402-0516, 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 K402-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0516
  • 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 K402-0516 available by request