K405-4331 Screening compound: 1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine

K405-4331 Screening compound: 1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine
K405-4331 Screening compound: 1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-4331
1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine

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

K405-4331

Molecular Formula

C18H22N6 (C18 H22 N6)

Compound Name

1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-1H-pyrazolo[3,4-d]pyrimidine

IUPAC name

1-[1-(25-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-methylpiperazine

SMILES

Cc1cc(-n2ncc3c2ncnc3N2CCN(C)CC2)c(C)cc1

InChI

InChI=1S/C18H22N6/c1-13-4-5-14(2)16(10-13)24-18-15(11-21-24)17(19-12-20-18)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3

InChI Key

CCBSKWKAHRRBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.51

Polar Surface Area

41.036

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

K405-4331 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K405-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-4331?
Check Price and Availability of K405-4331, 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 K405-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-4331
  • 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 K405-4331 available by request