C801-0320 Screening compound: 1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0320 Screening compound: 1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0320 Screening compound: 1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0320
1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-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

C801-0320

Molecular Formula

C19H15ClN4O (C19 H15 ClN4 O)

Compound Name

1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc1ccc(CN(C=Nc2c3cnn2-c(cc2)ccc2Cl)C3=O)cc1

InChI

InChI=1S/C19H15ClN4O/c1-13-2-4-14(5-3-13)11-23-12-21-18-17(19(23)25)10-22-24(18)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3

InChI Key

BRUOIXNVMWSPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.81

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

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.48

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C801-0320 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C801-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0320?
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What is the minimum amount of C801-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0320
  • 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 C801-0320 available by request