T159-1105 Screening compound: 3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile

T159-1105 Screening compound: 3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile
T159-1105 Screening compound: 3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T159-1105
3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile

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

T159-1105

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile

IUPAC name

3-{3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine-1-carbonyl}benzonitrile

SMILES

Cc1cnc(CC(CCC2)CN2C(c2cc(C#N)ccc2)=O)n1Cc1ccccc1

InChI

InChI=1S/C25H26N4O/c1-19-16-27-24(29(19)18-20-7-3-2-4-8-20)14-22-10-6-12-28(17-22)25(30)23-11-5-9-21(13-23)15-26/h2-5,7-9,11,13,16,22H,6,10,12,14,17-18H2,1H3/t22-/m1/s1

InChI Key

XFCIIJWWJDNYEJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD31973334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

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

3.538

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.56

Polar Surface Area

45.766

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

T159-1105 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T159-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T159-1105?
Check Price and Availability of T159-1105, 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 T159-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T159-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T159-1105
  • 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 T159-1105 available by request