G873-0199 Screening compound: N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

G873-0199 Screening compound: N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
G873-0199 Screening compound: N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0199
N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

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

G873-0199

Molecular Formula

C20H16ClN5O3S (C20 H16 ClN5 O3 S)

Compound Name

N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[1-(2-methoxyphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

COc(cccc1)c1-n1ncc(C(N2)=O)c1N=C2SCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H16ClN5O3S/c1-29-16-5-3-2-4-15(16)26-18-14(10-22-26)19(28)25-20(24-18)30-11-17(27)23-13-8-6-12(21)7-9-13/h2-10H,11H2,1H3,(H,23,27)(H,24,25,28)

InChI Key

IYQLHLQQEQIACI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-4.07

Polar Surface Area

78.930

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G873-0199 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G873-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0199?
Check Price and Availability of G873-0199, 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 G873-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0199
  • 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 G873-0199 available by request