T159-0968 Screening compound: 3-{[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1-[(3-methylphenyl)methyl]piperidine

T159-0968 Screening compound: 3-{[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1-[(3-methylphenyl)methyl]piperidine
T159-0968 Screening compound: 3-{[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1-[(3-methylphenyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T159-0968
3-{[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1-[(3-methylphenyl)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

T159-0968

Molecular Formula

C21H31N3 (C21 H31 N3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(CC2CN(Cc3cc(C)ccc3)CCC2)ncc1C

InChI

InChI=1S/C21H31N3/c1-16(2)24-18(4)13-22-21(24)12-20-9-6-10-23(15-20)14-19-8-5-7-17(3)11-19/h5,7-8,11,13,16,20H,6,9-10,12,14-15H2,1-4H3/t20-/m1/s1

InChI Key

SHFWSGAKASONJC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31995404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-4.03

Polar Surface Area

17.141

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

T159-0968 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 T159-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T159-0968?
Check Price and Availability of T159-0968, 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 T159-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T159-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T159-0968
  • 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 T159-0968 available by request