T428-0515 Screening compound: 2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]acetamide

T428-0515 Screening compound: 2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]acetamide
T428-0515 Screening compound: 2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T428-0515
2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]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

T428-0515

Molecular Formula

C20H26FN5O (C20 H26 FN5 O)

Compound Name

2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]acetamide

IUPAC name

2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-[(2-fluorophenyl)methyl]acetamide

SMILES

CCNc1nccc(N2CCC(CC(NCc(cccc3)c3F)=O)CC2)n1

InChI

InChI=1S/C20H26FN5O/c1-2-22-20-23-10-7-18(25-20)26-11-8-15(9-12-26)13-19(27)24-14-16-5-3-4-6-17(16)21/h3-7,10,15H,2,8-9,11-14H2,1H3,(H,24,27)(H,22,23,25)

InChI Key

GOJJTXBQBLURJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.54

Polar Surface Area

57.624

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T428-0515 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T428-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T428-0515?
Check Price and Availability of T428-0515, 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 T428-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T428-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T428-0515
  • 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 T428-0515 available by request