P859-0242 Screening compound: 1-cyclohexyl-4-[2,5-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]piperazine

P859-0242 Screening compound: 1-cyclohexyl-4-[2,5-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]piperazine
P859-0242 Screening compound: 1-cyclohexyl-4-[2,5-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P859-0242
1-cyclohexyl-4-[2,5-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]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

P859-0242

Molecular Formula

C22H37N5O (C22 H37 N5 O)

Compound Name

1-cyclohexyl-4-[2,5-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]piperazine

IUPAC name

1-cyclohexyl-4-[25-dimethyl-1-(1-methylpiperidin-4-yl)-1H-imidazole-4-carbonyl]piperazine

SMILES

Cc1c(C(N(CC2)CCN2C2CCCCC2)=O)nc(C)n1C1CCN(C)CC1

InChI

InChI=1S/C22H37N5O/c1-17-21(23-18(2)27(17)20-9-11-24(3)12-10-20)22(28)26-15-13-25(14-16-26)19-7-5-4-6-8-19/h19-20H,4-16H2,1-3H3

InChI Key

XYPDAKCIWMKMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.948

Distribution Coefficient, logD

-0.470

Water Solubility, LogSw

-1.95

Polar Surface Area

36.020

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.80

P859-0242 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P859-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P859-0242?
Check Price and Availability of P859-0242, 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 P859-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P859-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P859-0242
  • 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 P859-0242 available by request