C365-0039 Screening compound: 6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0039 Screening compound: 6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0039 Screening compound: 6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0039
6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

C365-0039

Molecular Formula

C23H22N6O2S (C23 H22 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1)=Nc(n(-c2ccccc2)nc2)c2C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H22N6O2S/c30-20(28-13-11-27(12-14-28)17-7-3-1-4-8-17)16-32-23-25-21-19(22(31)26-23)15-24-29(21)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,25,26,31)

InChI Key

UXOPNPAIFLCMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.55

Polar Surface Area

68.104

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C365-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0039?
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What is the minimum amount of C365-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0039
  • 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 C365-0039 available by request