F828-0431 Screening compound: 1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine

F828-0431 Screening compound: 1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine
F828-0431 Screening compound: 1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F828-0431
1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine

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

F828-0431

Molecular Formula

C21H22ClFN4O2S (C21 H22 ClFN4 O2 S)

Compound Name

1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine

IUPAC name

1-(4-chlorophenyl)-4-{[1-(4-fluorophenyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperazine

SMILES

Cc(n(-c(cc1)ccc1F)nc1C)c1S(N(CC1)CCN1c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H22ClFN4O2S/c1-15-21(16(2)27(24-15)20-9-5-18(23)6-10-20)30(28,29)26-13-11-25(12-14-26)19-7-3-17(22)4-8-19/h3-10H,11-14H2,1-2H3

InChI Key

LNFDITJITVCQMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.16

Polar Surface Area

49.628

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F828-0431 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F828-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F828-0431?
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What is the minimum amount of F828-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F828-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F828-0431
  • 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 F828-0431 available by request