C365-0061 Screening compound: N-(3,5-dimethylphenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

C365-0061 Screening compound: N-(3,5-dimethylphenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
C365-0061 Screening compound: N-(3,5-dimethylphenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0061
N-(3,5-dimethylphenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

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

C365-0061

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

N-(3,5-dimethylphenyl)-2-({4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

IUPAC name

N-(35-dimethylphenyl)-2-({4-oxo-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl}sulfanyl)acetamide

SMILES

Cc1cc(NC(CSC(N2)=Nc(n(-c3ccccc3)nc3)c3C2=O)=O)cc(C)c1

InChI

InChI=1S/C21H19N5O2S/c1-13-8-14(2)10-15(9-13)23-18(27)12-29-21-24-19-17(20(28)25-21)11-22-26(19)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25,28)

InChI Key

KLCICOGVRIDTLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.80

Polar Surface Area

71.601

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C365-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0061?
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What is the minimum amount of C365-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0061
  • 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 C365-0061 available by request