C099-0292 Screening compound: 6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C099-0292 Screening compound: 6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C099-0292 Screening compound: 6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0292
6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-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

C099-0292

Molecular Formula

C18H12BrFN4OS (C18 H12 BrFN4 OS)

Compound Name

6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[(4-bromophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C1NC(SCc(cc2)ccc2Br)=Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C18H12BrFN4OS/c19-12-3-1-11(2-4-12)10-26-18-22-16-15(17(25)23-18)9-21-24(16)14-7-5-13(20)6-8-14/h1-9H,10H2,(H,22,23,25)

InChI Key

IMFNTHGJJCJFHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.25

Polar Surface Area

48.452

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C099-0292 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C099-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0292?
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What is the minimum amount of C099-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0292
  • 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 C099-0292 available by request