C365-0150 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

C365-0150 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
C365-0150 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0150
2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,5-dimethylphenyl)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

C365-0150

Molecular Formula

C21H18ClN5O2S (C21 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(CSC(N2)=Nc(n(-c(cc3)ccc3Cl)nc3)c3C2=O)=O)cc(C)c1

InChI

InChI=1S/C21H18ClN5O2S/c1-12-7-13(2)9-15(8-12)24-18(28)11-30-21-25-19-17(20(29)26-21)10-23-27(19)16-5-3-14(22)4-6-16/h3-10H,11H2,1-2H3,(H,24,28)(H,25,26,29)

InChI Key

KRXCWBKZSBWBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.93

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

4.397

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.64

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 C365-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0150?
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What is the minimum amount of C365-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0150
  • 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 C365-0150 available by request