T428-0680 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

T428-0680 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
T428-0680 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0680
N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

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

T428-0680

Molecular Formula

C21H28N4O4 (C21 H28 N4 O4)

Compound Name

N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

SMILES

COc1cccc(CNC(CC(CC2)CCN2c2nc(OC)ncc2)=O)c1OC

InChI

InChI=1S/C21H28N4O4/c1-27-17-6-4-5-16(20(17)28-2)14-23-19(26)13-15-8-11-25(12-9-15)18-7-10-22-21(24-18)29-3/h4-7,10,15H,8-9,11-14H2,1-3H3,(H,23,26)

InChI Key

WBVPNJRWRNFYNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.22

Polar Surface Area

69.050

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T428-0680 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
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 T428-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0680?
Check Price and Availability of T428-0680, 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 T428-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0680
  • 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 T428-0680 available by request