K784-2016 Screening compound: 2-{[5-(2-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

K784-2016 Screening compound: 2-{[5-(2-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
K784-2016 Screening compound: 2-{[5-(2-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2016
2-{[5-(2-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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

K784-2016

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CSC(N2c(cccc3)c3Cl)=Nc([nH]nc3)c3C2=O)=O)cc1

InChI

InChI=1S/C21H18ClN5O2S/c1-13-6-8-14(9-7-13)10-23-18(28)12-30-21-25-19-15(11-24-26-19)20(29)27(21)17-5-3-2-4-16(17)22/h2-9,11H,10,12H2,1H3,(H,23,28)(H,24,26)

InChI Key

OYWHDVMPQDRLCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.63

Polar Surface Area

73.597

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K784-2016 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2016?
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What is the minimum amount of K784-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2016
  • 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 K784-2016 available by request