C365-0277 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0277 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0277 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0277
1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]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

C365-0277

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(34-dimethylphenyl)-6-{[(25-dimethylphenyl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc1cc(CSC(N2)=Nc(n(-c3cc(C)c(C)cc3)nc3)c3C2=O)c(C)cc1

InChI

InChI=1S/C22H22N4OS/c1-13-5-6-15(3)17(9-13)12-28-22-24-20-19(21(27)25-22)11-23-26(20)18-8-7-14(2)16(4)10-18/h5-11H,12H2,1-4H3,(H,24,25,27)

InChI Key

RYLVUUIHSGTTTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.028

Water Solubility, LogSw

-5.21

Polar Surface Area

48.452

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C365-0277 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C365-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0277?
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What is the minimum amount of C365-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0277
  • 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 C365-0277 available by request