T413-5733 Screening compound: 4-[(furan-2-yl)methyl]-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione

T413-5733 Screening compound: 4-[(furan-2-yl)methyl]-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione
T413-5733 Screening compound: 4-[(furan-2-yl)methyl]-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-5733
4-[(furan-2-yl)methyl]-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

T413-5733

Molecular Formula

C20H17N3O3 (C20 H17 N3 O3)

Compound Name

4-[(furan-2-yl)methyl]-1-phenyl-3-(pyridin-4-yl)piperazine-2,5-dione

IUPAC name

4-[(furan-2-yl)methyl]-1-phenyl-3-(pyridin-4-yl)piperazine-25-dione

SMILES

O=C(CN1c2ccccc2)N(Cc2ccco2)C(c2ccncc2)C1=O

InChI

InChI=1S/C20H17N3O3/c24-18-14-22(16-5-2-1-3-6-16)20(25)19(15-8-10-21-11-9-15)23(18)13-17-7-4-12-26-17/h1-12,19H,13-14H2/t19-/m0/s1

InChI Key

VDGLGDWPRQEWQO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27620581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.00

Polar Surface Area

49.291

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

T413-5733 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 T413-5733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-5733?
Check Price and Availability of T413-5733, 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 T413-5733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-5733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-5733
  • 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 T413-5733 available by request