K829-0337 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K829-0337 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K829-0337 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K829-0337
6-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-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

K829-0337

Molecular Formula

C20H17BrN4OS (C20 H17 BrN4 OS)

Compound Name

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

IUPAC name

6-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

CCc(cc1)ccc1N1C(SCc2cccc(Br)c2)=Nc([nH]nc2)c2C1=O

InChI

InChI=1S/C20H17BrN4OS/c1-2-13-6-8-16(9-7-13)25-19(26)17-11-22-24-18(17)23-20(25)27-12-14-4-3-5-15(21)10-14/h3-11H,2,12H2,1H3,(H,22,24)

InChI Key

QFNPJOHPTWKCEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.40

Polar Surface Area

49.426

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K829-0337 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 K829-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K829-0337?
Check Price and Availability of K829-0337, 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 K829-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K829-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K829-0337
  • 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 K829-0337 available by request