Y041-6189 Screening compound: 1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine

Y041-6189 Screening compound: 1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine
Y041-6189 Screening compound: 1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6189
1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine

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

Y041-6189

Molecular Formula

C21H21ClN4O (C21 H21 ClN4 O)

Compound Name

1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine

IUPAC name

1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carbonyl]-4-methylpiperazine

SMILES

CN(CC1)CCN1C(c1cc(-c(cc2)ccc2Cl)nn1-c1ccccc1)=O

InChI

InChI=1S/C21H21ClN4O/c1-24-11-13-25(14-12-24)21(27)20-15-19(16-7-9-17(22)10-8-16)23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3

InChI Key

WQJNOLLLBXICKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-4.39

Polar Surface Area

33.186

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y041-6189 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-6189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6189?
Check Price and Availability of Y041-6189, 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 Y041-6189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6189
  • 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 Y041-6189 available by request