K405-3648 Screening compound: 2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol

K405-3648 Screening compound: 2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol
K405-3648 Screening compound: 2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3648
2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol

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

K405-3648

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethan-1-ol

IUPAC name

2-{benzyl[1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}ethan-1-ol

SMILES

Cc(cc1)ccc1-n1ncc2c1ncnc2N(CCO)Cc1ccccc1

InChI

InChI=1S/C21H21N5O/c1-16-7-9-18(10-8-16)26-21-19(13-24-26)20(22-15-23-21)25(11-12-27)14-17-5-3-2-4-6-17/h2-10,13,15,27H,11-12,14H2,1H3

InChI Key

LUMQXAXHLIZQRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

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

3.994

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-3.82

Polar Surface Area

54.057

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K405-3648 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with K405-3648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3648?
Check Price and Availability of K405-3648, 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 K405-3648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3648
  • 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 K405-3648 available by request