C099-0727 Screening compound: N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

C099-0727 Screening compound: N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
C099-0727 Screening compound: N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0727
N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

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

C099-0727

Molecular Formula

C19H15FN6O4S2 (C19 H15 FN6 O4 S2)

Compound Name

N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

NS(c(cc1)ccc1-n1ncc(C(N2)=O)c1N=C2SCC(Nc(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C19H15FN6O4S2/c20-11-1-3-12(4-2-11)23-16(27)10-31-19-24-17-15(18(28)25-19)9-22-26(17)13-5-7-14(8-6-13)32(21,29)30/h1-9H,10H2,(H,23,27)(H2,21,29,30)(H,24,25,28)

InChI Key

FCBFGTLXNNRWPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-2.30

Polar Surface Area

122.204

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C099-0727 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C099-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0727?
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What is the minimum amount of C099-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0727
  • 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 C099-0727 available by request