C365-0112 Screening compound: 1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0112 Screening compound: 1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0112 Screening compound: 1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0112
1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]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

C365-0112

Molecular Formula

C20H17ClN4OS (C20 H17 ClN4 OS)

Compound Name

1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(4-chlorophenyl)-6-{[(25-dimethylphenyl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc1cc(CSC(N2)=Nc(n(-c(cc3)ccc3Cl)nc3)c3C2=O)c(C)cc1

InChI

InChI=1S/C20H17ClN4OS/c1-12-3-4-13(2)14(9-12)11-27-20-23-18-17(19(26)24-20)10-22-25(18)16-7-5-15(21)6-8-16/h3-10H,11H2,1-2H3,(H,23,24,26)

InChI Key

MMQDXDPEYWOYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.84

Polar Surface Area

48.452

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C365-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0112?
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What is the minimum amount of C365-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0112
  • 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 C365-0112 available by request