F828-0917 Screening compound: 1-{[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)piperazine

F828-0917 Screening compound: 1-{[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)piperazine
F828-0917 Screening compound: 1-{[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F828-0917
1-{[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)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

F828-0917

Molecular Formula

C20H22ClN5O2S (C20 H22 ClN5 O2 S)

Compound Name

1-{[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{[1-(4-chlorophenyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyridin-2-yl)piperazine

SMILES

Cc(n(-c(cc1)ccc1Cl)nc1C)c1S(N(CC1)CCN1c1ncccc1)(=O)=O

InChI

InChI=1S/C20H22ClN5O2S/c1-15-20(16(2)26(23-15)18-8-6-17(21)7-9-18)29(27,28)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10H,11-14H2,1-2H3

InChI Key

BUNPQSGKRHSERU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.48

Polar Surface Area

58.139

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F828-0917 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F828-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F828-0917?
Check Price and Availability of F828-0917, 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 F828-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F828-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F828-0917
  • 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 F828-0917 available by request