K405-2708 Screening compound: 1-[4-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one

K405-2708 Screening compound: 1-[4-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one
K405-2708 Screening compound: 1-[4-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-2708
1-[4-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one

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

K405-2708

Molecular Formula

C18H20N6O (C18 H20 N6 O)

Compound Name

1-[4-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{1-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1c1ncnc2c1cnn2C)=O

InChI

InChI=1S/C18H20N6O/c1-13(25)14-3-5-15(6-4-14)23-7-9-24(10-8-23)18-16-11-21-22(2)17(16)19-12-20-18/h3-6,11-12H,7-10H2,1-2H3

InChI Key

YFIAVNRSSPSWRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.32

Polar Surface Area

55.369

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K405-2708 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K405-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-2708?
Check Price and Availability of K405-2708, 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 K405-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-2708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-2708
  • 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 K405-2708 available by request