T160-0464 Screening compound: 1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one

T160-0464 Screening compound: 1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
T160-0464 Screening compound: 1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T160-0464
1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one

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

T160-0464

Molecular Formula

C25H28FN3O (C25 H28 FN3 O)

Compound Name

1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one

IUPAC name

1-{4-[(1-benzyl-5-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one

SMILES

Cc1cnc(CC(CC2)CCN2C(Cc2cccc(F)c2)=O)n1Cc1ccccc1

InChI

InChI=1S/C25H28FN3O/c1-19-17-27-24(29(19)18-21-6-3-2-4-7-21)15-20-10-12-28(13-11-20)25(30)16-22-8-5-9-23(26)14-22/h2-9,14,17,20H,10-13,15-16,18H2,1H3

InChI Key

PCVYXHNBYGYBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-4.39

Polar Surface Area

28.249

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

T160-0464 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with T160-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T160-0464?
Check Price and Availability of T160-0464, 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 T160-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T160-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T160-0464
  • 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 T160-0464 available by request