C365-0116 Screening compound: ethyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate

C365-0116 Screening compound: ethyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
C365-0116 Screening compound: ethyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0116
ethyl 2-{[1-(4-chlorophenyl)-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

C365-0116

Molecular Formula

C17H17ClN4O3S (C17 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)SC(N1)=Nc(n(-c(cc2)ccc2Cl)nc2)c2C1=O

InChI

InChI=1S/C17H17ClN4O3S/c1-3-13(16(24)25-4-2)26-17-20-14-12(15(23)21-17)9-19-22(14)11-7-5-10(18)6-8-11/h5-9,13H,3-4H2,1-2H3,(H,20,21,23)/t13-/m0/s1

InChI Key

WPEOSISANBYRQD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04456350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.87

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

4.100

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.49

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

29.40

C365-0116 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 C365-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0116?
Check Price and Availability of C365-0116, 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 C365-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0116
  • 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 C365-0116 available by request