T428-0101 Screening compound: N-benzyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide

T428-0101 Screening compound: N-benzyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
T428-0101 Screening compound: N-benzyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0101
N-benzyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide

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

T428-0101

Molecular Formula

C20H26N4O2 (C20 H26 N4 O2)

Compound Name

N-benzyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide

IUPAC name

N-benzyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CC(CC1)CCN1c1nc(OC)ncc1)=O

InChI

InChI=1S/C20H26N4O2/c1-23(15-17-6-4-3-5-7-17)19(25)14-16-9-12-24(13-10-16)18-8-11-21-20(22-18)26-2/h3-8,11,16H,9-10,12-15H2,1-2H3

InChI Key

WVRSRXWGOWUASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.00

Polar Surface Area

45.125

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T428-0101 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T428-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0101?
Check Price and Availability of T428-0101, 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 T428-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0101
  • 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 T428-0101 available by request