5067-4419 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole

5067-4419 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
5067-4419 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5067-4419
4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-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

5067-4419

Molecular Formula

C17H14ClFN2O2S2 (C17 H14 ClFN2 O2 S2)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-1-(4-fluorobenzenesulfonyl)-35-dimethyl-1H-pyrazole

SMILES

Cc(n(nc1C)S(c(cc2)ccc2F)(=O)=O)c1Sc(cc1)ccc1Cl

InChI

InChI=1S/C17H14ClFN2O2S2/c1-11-17(24-15-7-3-13(18)4-8-15)12(2)21(20-11)25(22,23)16-9-5-14(19)6-10-16/h3-10H,1-2H3

InChI Key

YPMURMUFLYONJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.56

Polar Surface Area

40.587

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5067-4419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5067-4419?
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What is the minimum amount of 5067-4419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5067-4419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5067-4419
  • 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 5067-4419 available by request