C099-0334 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C099-0334 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C099-0334 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0334
6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]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

C099-0334

Molecular Formula

C21H16FN5O2S (C21 H16 FN5 O2 S)

Compound Name

6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

6-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

O=C(CSC(N1)=Nc(n(-c(cc2)ccc2F)nc2)c2C1=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H16FN5O2S/c22-14-5-7-15(8-6-14)27-19-16(11-23-27)20(29)25-21(24-19)30-12-18(28)26-10-9-13-3-1-2-4-17(13)26/h1-8,11H,9-10,12H2,(H,24,25,29)

InChI Key

YVWDFZMBUFTMHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.54

Polar Surface Area

63.875

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C099-0334 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C099-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0334?
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What is the minimum amount of C099-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0334
  • 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 C099-0334 available by request