C365-0043 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0043 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0043 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0043
6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]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

C365-0043

Molecular Formula

C21H17N5O2S (C21 H17 N5 O2 S)

Compound Name

6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C(CSC(N1)=Nc(n(-c2ccccc2)nc2)c2C1=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H17N5O2S/c27-18(25-11-10-14-6-4-5-9-17(14)25)13-29-21-23-19-16(20(28)24-21)12-22-26(19)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,23,24,28)

InChI Key

XWJFEWFRYJODJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.55

Polar Surface Area

63.875

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C365-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 C365-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0043?
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What is the minimum amount of C365-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0043
  • 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 C365-0043 available by request