C801-0556 Screening compound: 1-(3,4-dimethylphenyl)-5-[(naphthalen-1-yl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0556 Screening compound: 1-(3,4-dimethylphenyl)-5-[(naphthalen-1-yl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0556 Screening compound: 1-(3,4-dimethylphenyl)-5-[(naphthalen-1-yl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0556
1-(3,4-dimethylphenyl)-5-[(naphthalen-1-yl)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

C801-0556

Molecular Formula

C24H20N4O (C24 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-n1ncc2c1N=CN(Cc1cccc3ccccc13)C2=O

InChI

InChI=1S/C24H20N4O/c1-16-10-11-20(12-17(16)2)28-23-22(13-26-28)24(29)27(15-25-23)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,15H,14H2,1-2H3

InChI Key

SNBYPOCXIORSMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

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

5.530

Distribution Coefficient, logD

5.530

Water Solubility, LogSw

-6.53

Polar Surface Area

40.018

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C801-0556 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 C801-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0556?
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What is the minimum amount of C801-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0556
  • 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 C801-0556 available by request