G873-0159 Screening compound: methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate

G873-0159 Screening compound: methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
G873-0159 Screening compound: methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0159
methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)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

G873-0159

Molecular Formula

C20H15ClN4O3S (C20 H15 ClN4 O3 S)

Compound Name

methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate

IUPAC name

methyl 4-({[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1ccc(CSC(N2)=Nc(n(-c(cc3)ccc3Cl)nc3)c3C2=O)cc1)=O

InChI

InChI=1S/C20H15ClN4O3S/c1-28-19(27)13-4-2-12(3-5-13)11-29-20-23-17-16(18(26)24-20)10-22-25(17)15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,24,26)

InChI Key

NBTGDYGENWYEQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.56

Polar Surface Area

69.625

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G873-0159 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 G873-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0159?
Check Price and Availability of G873-0159, 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 G873-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0159
  • 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 G873-0159 available by request