C801-0436 Screening compound: 1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C801-0436 Screening compound: 1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C801-0436 Screening compound: 1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C801-0436
1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]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

C801-0436

Molecular Formula

C19H12F4N4O (C19 H12 F4 N4 O)

Compound Name

1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1N(Cc2cc(C(F)(F)F)ccc2)C=Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C19H12F4N4O/c20-14-4-6-15(7-5-14)27-17-16(9-25-27)18(28)26(11-24-17)10-12-2-1-3-13(8-12)19(21,22)23/h1-9,11H,10H2

InChI Key

JOYCMEFTZWEMDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.97

Polar Surface Area

40.289

Acid Dissociation Constant (pKa)

29.78

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C801-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C801-0436?
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What is the minimum amount of C801-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C801-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C801-0436
  • 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 C801-0436 available by request