C801-0309 Screening compound: 1-(4-chlorophenyl)-5-[(3-fluorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0309 Screening compound: 1-(4-chlorophenyl)-5-[(3-fluorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0309 Screening compound: 1-(4-chlorophenyl)-5-[(3-fluorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0309
1-(4-chlorophenyl)-5-[(3-fluorophenyl)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

C801-0309

Molecular Formula

C18H12ClFN4O (C18 H12 ClFN4 O)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-5-[(3-fluorophenyl)methyl]-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1N(Cc2cc(F)ccc2)C=Nc2c1cnn2-c(cc1)ccc1Cl

InChI

InChI=1S/C18H12ClFN4O/c19-13-4-6-15(7-5-13)24-17-16(9-22-24)18(25)23(11-21-17)10-12-2-1-3-14(20)8-12/h1-9,11H,10H2

InChI Key

GFJKXECIZUKLIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.77

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

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.28

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C801-0309 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C801-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0309?
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What is the minimum amount of C801-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0309
  • 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 C801-0309 available by request