G873-0228 Screening compound: N-cyclopentyl-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

G873-0228 Screening compound: N-cyclopentyl-2-{[1-(2-methoxyphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
G873-0228 Screening compound: N-cyclopentyl-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 G873-0228
N-cyclopentyl-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

G873-0228

Molecular Formula

C19H21N5O3S (C19 H21 N5 O3 S)

Compound Name

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

IUPAC name

N-cyclopentyl-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(NC1CCCC1)=O

InChI

InChI=1S/C19H21N5O3S/c1-27-15-9-5-4-8-14(15)24-17-13(10-20-24)18(26)23-19(22-17)28-11-16(25)21-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,25)(H,22,23,26)

InChI Key

LYSBHMNCGOCKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

2.353

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.92

Polar Surface Area

80.344

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G873-0228 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 G873-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0228?
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What is the minimum amount of G873-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0228
  • 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 G873-0228 available by request