C099-0367 Screening compound: 6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C099-0367 Screening compound: 6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C099-0367 Screening compound: 6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-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 C099-0367
6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-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

C099-0367

Molecular Formula

C30H25FN6O4S (C30 H25 FN6 O4 S)

Compound Name

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

IUPAC name

6-({2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-(4-fluorophenyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

COc1ccc(C(C2)N(C(CSC(N3)=Nc(n(-c(cc4)ccc4F)nc4)c4C3=O)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C30H25FN6O4S/c1-40-22-11-3-18(4-12-22)25-15-26(19-5-13-23(41-2)14-6-19)37(35-25)27(38)17-42-30-33-28-24(29(39)34-30)16-32-36(28)21-9-7-20(31)8-10-21/h3-14,16,26H,15,17H2,1-2H3,(H,33,34,39)/t26-/m0/s1

InChI Key

UTVVNQNWNXUFGE-SANMLTNESA-N

MDL Number (MFCD)

MFCD04456548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-4.86

Polar Surface Area

90.159

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C099-0367 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 C099-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0367?
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What is the minimum amount of C099-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0367
  • 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 C099-0367 available by request