C099-0729 Screening compound: N-(4-ethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

C099-0729 Screening compound: N-(4-ethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
C099-0729 Screening compound: N-(4-ethoxyphenyl)-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 C099-0729
N-(4-ethoxyphenyl)-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

C099-0729

Molecular Formula

C21H20N6O5S2 (C21 H20 N6 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(N1)=Nc(n(-c(cc2)ccc2S(N)(=O)=O)nc2)c2C1=O)=O

InChI

InChI=1S/C21H20N6O5S2/c1-2-32-15-7-3-13(4-8-15)24-18(28)12-33-21-25-19-17(20(29)26-21)11-23-27(19)14-5-9-16(10-6-14)34(22,30)31/h3-11H,2,12H2,1H3,(H,24,28)(H2,22,30,31)(H,25,26,29)

InChI Key

HRRNDQRXPXGAMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.776

Water Solubility, LogSw

-2.56

Polar Surface Area

129.328

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C099-0729 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C099-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0729?
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What is the minimum amount of C099-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0729
  • 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 C099-0729 available by request