K405-3546 Screening compound: 3-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-1-ol

K405-3546 Screening compound: 3-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-1-ol
K405-3546 Screening compound: 3-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-3546
3-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-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

K405-3546

Molecular Formula

C15H17N5O (C15 H17 N5 O)

Compound Name

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

IUPAC name

3-{[1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}propan-1-ol

SMILES

Cc(cc1)ccc1-n1ncc2c1ncnc2NCCCO

InChI

InChI=1S/C15H17N5O/c1-11-3-5-12(6-4-11)20-15-13(9-19-20)14(17-10-18-15)16-7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,16,17,18)

InChI Key

VUIJFCOBYKEFSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05956563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-1.82

Polar Surface Area

62.118

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K405-3546 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K405-3546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-3546?
Check Price and Availability of K405-3546, 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 K405-3546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-3546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-3546
  • 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 K405-3546 available by request