5067-4395 Screening compound: 1-(benzenesulfonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole

5067-4395 Screening compound: 1-(benzenesulfonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole
5067-4395 Screening compound: 1-(benzenesulfonyl)-3-methyl-5-phenyl-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5067-4395
1-(benzenesulfonyl)-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

5067-4395

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(Sc1ccccc1)c1-c2ccccc2)nn1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C22H18N2O2S2/c1-17-22(27-19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)24(23-17)28(25,26)20-15-9-4-10-16-20/h2-16H,1H3

InChI Key

DMUOPGJXSQCJID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

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

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.48

Polar Surface Area

39.345

Acid Dissociation Constant (pKa)

32.10

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5067-4395 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5067-4395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5067-4395?
Check Price and Availability of 5067-4395, 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 5067-4395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5067-4395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5067-4395
  • 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 5067-4395 available by request