K781-5733 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

K781-5733 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
K781-5733 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5733
N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-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

K781-5733

Molecular Formula

C21H18ClN5O3S (C21 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-2-{[5-(4-methoxyphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1N1C(SCC(NCc2cccc(Cl)c2)=O)=Nc([nH]nc2)c2C1=O

InChI

InChI=1S/C21H18ClN5O3S/c1-30-16-7-5-15(6-8-16)27-20(29)17-11-24-26-19(17)25-21(27)31-12-18(28)23-10-13-3-2-4-14(22)9-13/h2-9,11H,10,12H2,1H3,(H,23,28)(H,24,26)

InChI Key

JYJSKSZWRZDDHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.59

Polar Surface Area

81.442

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K781-5733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5733?
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What is the minimum amount of K781-5733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5733
  • 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 K781-5733 available by request