K781-1128 Screening compound: N-(2,5-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

K781-1128 Screening compound: N-(2,5-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
K781-1128 Screening compound: N-(2,5-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1128
N-(2,5-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

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

K781-1128

Molecular Formula

C21H19N5O4S (C21 H19 N5 O4 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-({4-oxo-5-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl}sulfanyl)acetamide

SMILES

COc(cc1)cc(NC(CSC(N2c3ccccc3)=Nc([nH]nc3)c3C2=O)=O)c1OC

InChI

InChI=1S/C21H19N5O4S/c1-29-14-8-9-17(30-2)16(10-14)23-18(27)12-31-21-24-19-15(11-22-25-19)20(28)26(21)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,25)(H,23,27)

InChI Key

XJKVUHKIEBMOOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-3.09

Polar Surface Area

87.052

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K781-1128 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1128?
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What is the minimum amount of K781-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1128
  • 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 K781-1128 available by request