C365-0196 Screening compound: ethyl 2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate

C365-0196 Screening compound: ethyl 2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
C365-0196 Screening compound: ethyl 2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0196
ethyl 2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate

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

C365-0196

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)SC(N1)=Nc(n(-c2ccc(C)cc2)nc2)c2C1=O

InChI

InChI=1S/C18H20N4O3S/c1-4-14(17(24)25-5-2)26-18-20-15-13(16(23)21-18)10-19-22(15)12-8-6-11(3)7-9-12/h6-10,14H,4-5H2,1-3H3,(H,20,21,23)/t14-/m0/s1

InChI Key

UDVVPGOVOIYGPQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04456427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.85

Polar Surface Area

69.477

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C365-0196 in Drug Discovery

Included in Screening Libraries

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 C365-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0196?
Check Price and Availability of C365-0196, 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 C365-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0196
  • 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 C365-0196 available by request