T159-0021 Screening compound: 1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine

T159-0021 Screening compound: 1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
T159-0021 Screening compound: 1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T159-0021
1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine

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

T159-0021

Molecular Formula

C20H33N3O2 (C20 H33 N3 O2)

Compound Name

1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine

IUPAC name

1-cyclohexanecarbonyl-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine

SMILES

Cc1cnc(CC(CCC2)CN2C(C2CCCCC2)=O)n1CCOC

InChI

InChI=1S/C20H33N3O2/c1-16-14-21-19(23(16)11-12-25-2)13-17-7-6-10-22(15-17)20(24)18-8-4-3-5-9-18/h14,17-18H,3-13,15H2,1-2H3/t17-/m1/s1

InChI Key

XQQXMRJKJXDEIR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31986353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.73

Polar Surface Area

37.494

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

T159-0021 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T159-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T159-0021?
Check Price and Availability of T159-0021, 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 T159-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T159-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T159-0021
  • 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 T159-0021 available by request