C099-0325 Screening compound: 6-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C099-0325 Screening compound: 6-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C099-0325 Screening compound: 6-{[2-(2-ethylpiperidin-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 C099-0325
6-{[2-(2-ethylpiperidin-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

C099-0325

Molecular Formula

C20H22FN5O2S (C20 H22 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(CCCC1)N1C(CSC(N1)=Nc(n(-c(cc2)ccc2F)nc2)c2C1=O)=O

InChI

InChI=1S/C20H22FN5O2S/c1-2-14-5-3-4-10-25(14)17(27)12-29-20-23-18-16(19(28)24-20)11-22-26(18)15-8-6-13(21)7-9-15/h6-9,11,14H,2-5,10,12H2,1H3,(H,23,24,28)/t14-/m0/s1

InChI Key

NNSRIMAMMOPXSX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04456510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.41

Polar Surface Area

64.490

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C099-0325 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C099-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0325?
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What is the minimum amount of C099-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0325
  • 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 C099-0325 available by request