C365-0197 Screening compound: ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate

C365-0197 Screening compound: ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
C365-0197 Screening compound: ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0197
ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate

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

C365-0197

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-methyl-2-{[1-(4-methylphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)(C)SC(N1)=Nc(n(-c2ccc(C)cc2)nc2)c2C1=O)=O

InChI

InChI=1S/C18H20N4O3S/c1-5-25-16(24)18(3,4)26-17-20-14-13(15(23)21-17)10-19-22(14)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,20,21,23)

InChI Key

RYBVGCGYRVPIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-3.99

Polar Surface Area

69.477

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C365-0197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C365-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0197?
Check Price and Availability of C365-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C365-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0197
  • 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 C365-0197 available by request