C801-0089 Screening compound: 5-[(2,5-dimethylphenyl)methyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0089 Screening compound: 5-[(2,5-dimethylphenyl)methyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0089 Screening compound: 5-[(2,5-dimethylphenyl)methyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0089
5-[(2,5-dimethylphenyl)methyl]-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

C801-0089

Molecular Formula

C20H18N4O (C20 H18 N4 O)

Compound Name

5-[(2,5-dimethylphenyl)methyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-[(25-dimethylphenyl)methyl]-1-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc1cc(CN(C=Nc2c3cnn2-c2ccccc2)C3=O)c(C)cc1

InChI

InChI=1S/C20H18N4O/c1-14-8-9-15(2)16(10-14)12-23-13-21-19-18(20(23)25)11-22-24(19)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3

InChI Key

ATECLKFVDPTJNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.21

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C801-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0089?
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What is the minimum amount of C801-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0089
  • 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 C801-0089 available by request