C099-0350 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

C099-0350 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
C099-0350 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0350
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(4-fluorophenyl)-4-oxo-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

C099-0350

Molecular Formula

C23H22FN5O4S (C23 H22 FN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(CSC(N1)=Nc(n(-c(cc2)ccc2F)nc2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C23H22FN5O4S/c1-32-18-8-3-14(11-19(18)33-2)9-10-25-20(30)13-34-23-27-21-17(22(31)28-23)12-26-29(21)16-6-4-15(24)5-7-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,30)(H,27,28,31)

InChI Key

TWOIUYBGFRCVII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-3.02

Polar Surface Area

88.025

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C099-0350 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C099-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0350?
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What is the minimum amount of C099-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0350
  • 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 C099-0350 available by request