G873-0222 Screening compound: ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

G873-0222 Screening compound: ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
G873-0222 Screening compound: ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0222
ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

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

G873-0222

Molecular Formula

C23H21N5O5S (C23 H21 N5 O5 S)

Compound Name

ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[1-(2-methoxyphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSC(N1)=Nc(n(-c(cccc2)c2OC)nc2)c2C1=O)=O)=O

InChI

InChI=1S/C23H21N5O5S/c1-3-33-22(31)14-8-4-5-9-16(14)25-19(29)13-34-23-26-20-15(21(30)27-23)12-24-28(20)17-10-6-7-11-18(17)32-2/h4-12H,3,13H2,1-2H3,(H,25,29)(H,26,27,30)

InChI Key

DCVGFBCNJYNYFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.64

Polar Surface Area

98.986

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G873-0222 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G873-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0222?
Check Price and Availability of G873-0222, 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 G873-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0222
  • 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 G873-0222 available by request