K405-3209 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K405-3209 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
K405-3209 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3209
1-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

K405-3209

Molecular Formula

C20H16ClN5O2 (C20 H16 ClN5 O2)

Compound Name

1-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

1-(3-chloro-4-methylphenyl)-N-(23-dihydro-14-benzodioxin-6-yl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cc(ccc(-n1ncc2c(Nc(cc3)cc4c3OCCO4)ncnc12)c1)c1Cl

InChI

InChI=1S/C20H16ClN5O2/c1-12-2-4-14(9-16(12)21)26-20-15(10-24-26)19(22-11-23-20)25-13-3-5-17-18(8-13)28-7-6-27-17/h2-5,8-11H,6-7H2,1H3,(H,22,23,25)

InChI Key

KWNUKXQAESJENF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.34

Polar Surface Area

59.851

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K405-3209 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • 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 K405-3209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3209?
Check Price and Availability of K405-3209, 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 K405-3209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3209
  • 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 K405-3209 available by request