C365-0069 Screening compound: 6-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0069 Screening compound: 6-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0069 Screening compound: 6-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0069
6-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-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

C365-0069

Molecular Formula

C30H26N6O3S (C30 H26 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)N(C(CSC(N3)=Nc(n(-c4ccccc4)nc4)c4C3=O)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C30H26N6O3S/c1-19-8-10-21(11-9-19)26-16-25(20-12-14-23(39-2)15-13-20)34-36(26)27(37)18-40-30-32-28-24(29(38)33-30)17-31-35(28)22-6-4-3-5-7-22/h3-15,17,26H,16,18H2,1-2H3,(H,32,33,38)/t26-/m0/s1

InChI Key

UMHNEJZSXPBFRX-SANMLTNESA-N

MDL Number (MFCD)

MFCD04456305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.64

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

5.453

Distribution Coefficient, logD

5.390

Water Solubility, LogSw

-5.35

Polar Surface Area

82.616

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C365-0069 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 C365-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0069?
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What is the minimum amount of C365-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0069
  • 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 C365-0069 available by request