C099-0726 Screening compound: 2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

C099-0726 Screening compound: 2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
C099-0726 Screening compound: 2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0726
2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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

C099-0726

Molecular Formula

C20H15F3N6O4S2 (C20 H15 F3 N6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

NS(c(cc1)ccc1-n1ncc(C(N2)=O)c1N=C2SCC(Nc1c(C(F)(F)F)cccc1)=O)(=O)=O

InChI

InChI=1S/C20H15F3N6O4S2/c21-20(22,23)14-3-1-2-4-15(14)26-16(30)10-34-19-27-17-13(18(31)28-19)9-25-29(17)11-5-7-12(8-6-11)35(24,32)33/h1-9H,10H2,(H,26,30)(H2,24,32,33)(H,27,28,31)

InChI Key

BESDJYXWZUXVIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.75

Polar Surface Area

121.506

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C099-0726 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C099-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0726?
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What is the minimum amount of C099-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0726
  • 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 C099-0726 available by request