3335-0115 Screening compound: 3-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine

3335-0115 Screening compound: 3-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine
3335-0115 Screening compound: 3-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0115
3-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine

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

3335-0115

Molecular Formula

C17H15N3OS (C17 H15 N3 OS)

Compound Name

3-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine

IUPAC name

3-[35-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-carbonyl]pyridine

SMILES

Cc(n(C(c1cnccc1)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C17H15N3OS/c1-12-16(22-15-8-4-3-5-9-15)13(2)20(19-12)17(21)14-7-6-10-18-11-14/h3-11H,1-2H3

InChI Key

SQXCLJSWOXEJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-1.96

Polar Surface Area

37.099

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3335-0115 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3335-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0115?
Check Price and Availability of 3335-0115, 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 3335-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0115
  • 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 3335-0115 available by request