K643-0536 Screening compound: 6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K643-0536 Screening compound: 6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K643-0536 Screening compound: 6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K643-0536
6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-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

K643-0536

Molecular Formula

C25H26N6O3S (C25 H26 N6 O3 S)

Compound Name

6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-(2-methylphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cccc1)c1N1C(SCC(N(CC2)CCN2c(cc2)ccc2OC)=O)=Nc([nH]nc2)c2C1=O

InChI

InChI=1S/C25H26N6O3S/c1-17-5-3-4-6-21(17)31-24(33)20-15-26-28-23(20)27-25(31)35-16-22(32)30-13-11-29(12-14-30)18-7-9-19(34-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,26,28)

InChI Key

RZBYBJNHGJHSAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.37

Polar Surface Area

76.322

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with K643-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0536?
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What is the minimum amount of K643-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0536
  • 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 K643-0536 available by request