T159-1102 Screening compound: 3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4-dimethoxybenzoyl)piperidine

T159-1102 Screening compound: 3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4-dimethoxybenzoyl)piperidine
T159-1102 Screening compound: 3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4-dimethoxybenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T159-1102
3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4-dimethoxybenzoyl)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

T159-1102

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4-dimethoxybenzoyl)piperidine

IUPAC name

3-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(24-dimethoxybenzoyl)piperidine

SMILES

Cc1cnc(CC(CCC2)CN2C(c(ccc(OC)c2)c2OC)=O)n1Cc1ccccc1

InChI

InChI=1S/C26H31N3O3/c1-19-16-27-25(29(19)18-20-8-5-4-6-9-20)14-21-10-7-13-28(17-21)26(30)23-12-11-22(31-2)15-24(23)32-3/h4-6,8-9,11-12,15-16,21H,7,10,13-14,17-18H2,1-3H3/t21-/m1/s1

InChI Key

OTTCTSVPKMMNAD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD30467917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-4.27

Polar Surface Area

43.884

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

T159-1102 in Drug Discovery

Included in Screening Libraries

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

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 T159-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T159-1102?
Check Price and Availability of T159-1102, 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 T159-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T159-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T159-1102
  • 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 T159-1102 available by request