C365-0133 Screening compound: 1-(4-chlorophenyl)-6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0133 Screening compound: 1-(4-chlorophenyl)-6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0133 Screening compound: 1-(4-chlorophenyl)-6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0133
1-(4-chlorophenyl)-6-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-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

C365-0133

Molecular Formula

C22H18ClN5O2S (C22 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-6-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C(CSC(N1)=Nc(n(-c(cc2)ccc2Cl)nc2)c2C1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)28-20-17(12-24-28)21(30)26-22(25-20)31-13-19(29)27-11-3-5-14-4-1-2-6-18(14)27/h1-2,4,6-10,12H,3,5,11,13H2,(H,25,26,30)

InChI Key

SMRHLNJJUWZCFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.94

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

4.139

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.67

Polar Surface Area

63.509

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C365-0133 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C365-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0133?
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What is the minimum amount of C365-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0133
  • 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 C365-0133 available by request