K781-0562 Screening compound: 5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K781-0562 Screening compound: 5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K781-0562 Screening compound: 5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0562
5-(4-chlorophenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-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

K781-0562

Molecular Formula

C24H23ClN6O3S (C24 H23 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CSC(N1c(cc2)ccc2Cl)=Nc([nH]nc2)c2C1=O)=O

InChI

InChI=1S/C24H23ClN6O3S/c1-34-19-8-6-17(7-9-19)29-10-12-30(13-11-29)21(32)15-35-24-27-22-20(14-26-28-22)23(33)31(24)18-4-2-16(25)3-5-18/h2-9,14H,10-13,15H2,1H3,(H,26,28)

InChI Key

NDDYJPMXXHESHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511

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

3.202

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.65

Polar Surface Area

76.623

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K781-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0562?
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What is the minimum amount of K781-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0562
  • 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 K781-0562 available by request