K781-0741 Screening compound: 5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K781-0741 Screening compound: 5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K781-0741 Screening compound: 5-(2-methoxyphenyl)-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 K781-0741
5-(2-methoxyphenyl)-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

K781-0741

Molecular Formula

C25H26N6O4S (C25 H26 N6 O4 S)

Compound Name

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

IUPAC name

5-(2-methoxyphenyl)-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(cccc2)c2OC)=Nc([nH]nc2)c2C1=O)=O

InChI

InChI=1S/C25H26N6O4S/c1-34-18-9-7-17(8-10-18)29-11-13-30(14-12-29)22(32)16-36-25-27-23-19(15-26-28-23)24(33)31(25)20-5-3-4-6-21(20)35-2/h3-10,15H,11-14,16H2,1-2H3,(H,26,28)

InChI Key

BCEFZKKERVOOAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.73

Polar Surface Area

83.952

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with K781-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0741?
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What is the minimum amount of K781-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0741
  • 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 K781-0741 available by request