3339-1391 Screening compound: 3-methyl-1-(4-methylbenzenesulfonyl)-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

3339-1391 Screening compound: 3-methyl-1-(4-methylbenzenesulfonyl)-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole
3339-1391 Screening compound: 3-methyl-1-(4-methylbenzenesulfonyl)-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1391
3-methyl-1-(4-methylbenzenesulfonyl)-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

3339-1391

Molecular Formula

C23H20N2O2S2 (C23 H20 N2 O2 S2)

Compound Name

3-methyl-1-(4-methylbenzenesulfonyl)-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

3-methyl-1-(4-methylbenzenesulfonyl)-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc(c(Sc1ccccc1)c1-c2ccccc2)nn1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C23H20N2O2S2/c1-17-13-15-21(16-14-17)29(26,27)25-22(19-9-5-3-6-10-19)23(18(2)24-25)28-20-11-7-4-8-12-20/h3-16H,1-2H3

InChI Key

QLFADDOCCVAWOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.49

Polar Surface Area

39.345

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3339-1391 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3339-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1391?
Check Price and Availability of 3339-1391, 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 3339-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1391
  • 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 3339-1391 available by request