T413-6097 Screening compound: 1-[(4-METHYLPHENYL)METHYL]-4-[(PYRIDIN-3-YL)METHYL]-3-(THIOPHEN-2-YL)PIPERAZINE-2,5-DIONE

T413-6097 Screening compound: 1-[(4-METHYLPHENYL)METHYL]-4-[(PYRIDIN-3-YL)METHYL]-3-(THIOPHEN-2-YL)PIPERAZINE-2,5-DIONE
T413-6097 Screening compound: 1-[(4-METHYLPHENYL)METHYL]-4-[(PYRIDIN-3-YL)METHYL]-3-(THIOPHEN-2-YL)PIPERAZINE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-6097
1-[(4-METHYLPHENYL)METHYL]-4-[(PYRIDIN-3-YL)METHYL]-3-(THIOPHEN-2-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

T413-6097

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

1-[(4-METHYLPHENYL)METHYL]-4-[(PYRIDIN-3-YL)METHYL]-3-(THIOPHEN-2-YL)PIPERAZINE-2,5-DIONE

IUPAC name

n/a

SMILES

Cc1ccc(CN(CC(N(Cc2cnccc2)C2c3cccs3)=O)C2=O)cc1

InChI

InChI=1S/C22H21N3O2S/c1-16-6-8-17(9-7-16)13-24-15-20(26)25(14-18-4-2-10-23-12-18)21(22(24)27)19-5-3-11-28-19/h2-12,21H,13-15H2,1H3/t21-/m0/s1

InChI Key

GRLNRNVDLUMKLD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27620590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-2.04

Polar Surface Area

43.097

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

T413-6097 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T413-6097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-6097?
Check Price and Availability of T413-6097, 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 T413-6097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-6097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-6097
  • 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 T413-6097 available by request