G873-0167 Screening compound: 1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

G873-0167 Screening compound: 1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
G873-0167 Screening compound: 1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0167
1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-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

G873-0167

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(2-methoxyphenyl)-6-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

COc(cccc1)c1-n1ncc(C(N2)=O)c1N=C2SC/C=C/c1ccccc1

InChI

InChI=1S/C21H18N4O2S/c1-27-18-12-6-5-11-17(18)25-19-16(14-22-25)20(26)24-21(23-19)28-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,23,24,26)

InChI Key

IKZZWOFFAUFWJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

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

4.353

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.27

Polar Surface Area

55.781

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G873-0167 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G873-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0167?
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What is the minimum amount of G873-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0167
  • 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 G873-0167 available by request