T413-5722 Screening compound: 4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione

T413-5722 Screening compound: 4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione
T413-5722 Screening compound: 4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-5722
4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione

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

T413-5722

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione

IUPAC name

4-benzyl-1-phenyl-3-(pyridin-4-yl)piperazine-25-dione

SMILES

O=C(CN1c2ccccc2)N(Cc2ccccc2)C(c2ccncc2)C1=O

InChI

InChI=1S/C22H19N3O2/c26-20-16-24(19-9-5-2-6-10-19)22(27)21(18-11-13-23-14-12-18)25(20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2/t21-/m0/s1

InChI Key

IYHGLSZICWWLAU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27620580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.37

Polar Surface Area

41.543

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

T413-5722 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T413-5722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-5722?
Check Price and Availability of T413-5722, 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 T413-5722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-5722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-5722
  • 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 T413-5722 available by request