K405-2468 Screening compound: ethyl 4-({1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoate

K405-2468 Screening compound: ethyl 4-({1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoate
K405-2468 Screening compound: ethyl 4-({1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-2468
ethyl 4-({1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoate

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

K405-2468

Molecular Formula

C15H15N5O2 (C15 H15 N5 O2)

Compound Name

ethyl 4-({1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzoate

IUPAC name

ethyl 4-({1-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1Nc1ncnc2c1cnn2C)=O

InChI

InChI=1S/C15H15N5O2/c1-3-22-15(21)10-4-6-11(7-5-10)19-13-12-8-18-20(2)14(12)17-9-16-13/h4-9H,3H2,1-2H3,(H,16,17,19)

InChI Key

XIZWAHZUOWTEOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03044436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-2.93

Polar Surface Area

65.203

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K405-2468 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K405-2468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-2468?
Check Price and Availability of K405-2468, 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 K405-2468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-2468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-2468
  • 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 K405-2468 available by request