K405-3561 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K405-3561 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K405-3561 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3561
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-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

K405-3561

Molecular Formula

C19H16ClN5 (C19 H16 ClN5)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cc(cc1)ccc1-n1ncc2c1ncnc2NCc(cccc1)c1Cl

InChI

InChI=1S/C19H16ClN5/c1-13-6-8-15(9-7-13)25-19-16(11-24-25)18(22-12-23-19)21-10-14-4-2-3-5-17(14)20/h2-9,11-12H,10H2,1H3,(H,21,22,23)

InChI Key

BYFJARUGXKMUMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.92

Polar Surface Area

45.350

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

K405-3561 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K405-3561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3561?
Check Price and Availability of K405-3561, 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 K405-3561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3561
  • 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 K405-3561 available by request