C099-0363 Screening compound: 1-(4-fluorophenyl)-6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C099-0363 Screening compound: 1-(4-fluorophenyl)-6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C099-0363 Screening compound: 1-(4-fluorophenyl)-6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0363
1-(4-fluorophenyl)-6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-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

C099-0363

Molecular Formula

C29H22F2N6O3S (C29 H22 F2 N6 O3 S)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-6-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1C(CSC(N1)=Nc(n(-c(cc2)ccc2F)nc2)c2C1=O)=O

InChI

InChI=1S/C29H22F2N6O3S/c1-40-22-12-4-17(5-13-22)24-14-25(18-2-6-19(30)7-3-18)37(35-24)26(38)16-41-29-33-27-23(28(39)34-29)15-32-36(27)21-10-8-20(31)9-11-21/h2-13,15,25H,14,16H2,1H3,(H,33,34,39)/t25-/m0/s1

InChI Key

LCVACUAOMKFNLH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04456545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-4.90

Polar Surface Area

82.616

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

C099-0363 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C099-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0363?
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What is the minimum amount of C099-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0363
  • 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 C099-0363 available by request