K829-0281 Screening compound: 6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K829-0281 Screening compound: 6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K829-0281 Screening compound: 6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K829-0281
6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-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

K829-0281

Molecular Formula

C24H17FN4O2S (C24 H17 FN4 O2 S)

Compound Name

6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-phenoxyphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1N(c(cc2)ccc2Oc2ccccc2)C(SCc(cccc2)c2F)=Nc2c1cn[nH]2

InChI

InChI=1S/C24H17FN4O2S/c25-21-9-5-4-6-16(21)15-32-24-27-22-20(14-26-28-22)23(30)29(24)17-10-12-19(13-11-17)31-18-7-2-1-3-8-18/h1-14H,15H2,(H,26,28)

InChI Key

ISYKMUAJYOVKKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.20

Polar Surface Area

56.174

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

K829-0281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K829-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K829-0281?
Check Price and Availability of K829-0281, 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 K829-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K829-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K829-0281
  • 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 K829-0281 available by request