K829-0156 Screening compound: 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide

K829-0156 Screening compound: 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
K829-0156 Screening compound: 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K829-0156
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)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

K829-0156

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CSC(N1c2cc(Cl)c(C)cc2)=Nc([nH]nc2)c2C1=O)=O

InChI

InChI=1S/C21H18ClN5O2S/c1-12-3-6-14(7-4-12)24-18(28)11-30-21-25-19-16(10-23-26-19)20(29)27(21)15-8-5-13(2)17(22)9-15/h3-10H,11H2,1-2H3,(H,23,26)(H,24,28)

InChI Key

MNUVMCFEVVPHDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109943

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.49

Polar Surface Area

72.576

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K829-0156 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K829-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K829-0156?
Check Price and Availability of K829-0156, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K829-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K829-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K829-0156
  • 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 K829-0156 available by request