3339-1372 Screening compound: 1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

3339-1372 Screening compound: 1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole
3339-1372 Screening compound: 1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1372
1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

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

3339-1372

Molecular Formula

C21H16N2O2S (C21 H16 N2 O2 S)

Compound Name

1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

1-(furan-2-carbonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc1nn(C(c2ccco2)=O)c(-c2ccccc2)c1Sc1ccccc1

InChI

InChI=1S/C21H16N2O2S/c1-15-20(26-17-11-6-3-7-12-17)19(16-9-4-2-5-10-16)23(22-15)21(24)18-13-8-14-25-18/h2-14H,1H3

InChI Key

NFHMSJWBFOJPIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.09

Polar Surface Area

34.917

Acid Dissociation Constant (pKa)

32.10

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3339-1372 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3339-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1372?
Check Price and Availability of 3339-1372, 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 3339-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1372
  • 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 3339-1372 available by request