T413-6124 Screening compound: 4-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-3-(thiophen-2-yl)piperazine-2,5-dione

T413-6124 Screening compound: 4-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-3-(thiophen-2-yl)piperazine-2,5-dione
T413-6124 Screening compound: 4-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-3-(thiophen-2-yl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-6124
4-(2-methoxyethyl)-1-[(4-methylphenyl)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

T413-6124

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

4-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-3-(thiophen-2-yl)piperazine-2,5-dione

IUPAC name

4-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-3-(thiophen-2-yl)piperazine-25-dione

SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-14-5-7-15(8-6-14)12-20-13-17(22)21(9-10-24-2)18(19(20)23)16-4-3-11-25-16/h3-8,11,18H,9-10,12-13H2,1-2H3/t18-/m0/s1

InChI Key

UUCMAWRPHGSWTL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27620592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-2.51

Polar Surface Area

42.171

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T413-6124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T413-6124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-6124?
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What is the minimum amount of T413-6124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-6124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-6124
  • 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 T413-6124 available by request