G873-0052 Screening compound: 6-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

G873-0052 Screening compound: 6-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
G873-0052 Screening compound: 6-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0052
6-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-phenyl-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

G873-0052

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

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

IUPAC name

6-{[(35-dimethoxyphenyl)methyl]sulfanyl}-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

COc1cc(CSC(N2)=Nc(n(-c3ccccc3)nc3)c3C2=O)cc(OC)c1

InChI

InChI=1S/C20H18N4O3S/c1-26-15-8-13(9-16(10-15)27-2)12-28-20-22-18-17(19(25)23-20)11-21-24(18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,23,25)

InChI Key

FWVQNAOWKZTVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.93

Polar Surface Area

63.539

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G873-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G873-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0052?
Check Price and Availability of G873-0052, 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 G873-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0052
  • 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 G873-0052 available by request