K405-3529 Screening compound: 1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K405-3529 Screening compound: 1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K405-3529 Screening compound: 1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3529
1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-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

K405-3529

Molecular Formula

C21H20ClN5O (C21 H20 ClN5 O)

Compound Name

1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cc(ccc(Cl)c1)c1-n1ncc2c(NCCc(cc3)ccc3OC)ncnc12

InChI

InChI=1S/C21H20ClN5O/c1-14-3-6-16(22)11-19(14)27-21-18(12-26-27)20(24-13-25-21)23-10-9-15-4-7-17(28-2)8-5-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)

InChI Key

SEGLVJFLHQLQFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-5.09

Polar Surface Area

52.434

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K405-3529 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K405-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3529?
Check Price and Availability of K405-3529, 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 K405-3529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3529
  • 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 K405-3529 available by request