4912-1424 Screening compound: 2-{4-[2-(2-ethylanilino)-2-oxoethyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-N~1~-(2-ethylphenyl)acetamide

4912-1424 Screening compound: 2-{4-[2-(2-ethylanilino)-2-oxoethyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-N~1~-(2-ethylphenyl)acetamide
4912-1424 Screening compound: 2-{4-[2-(2-ethylanilino)-2-oxoethyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-N~1~-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-1424
2-{4-[2-(2-ethylanilino)-2-oxoethyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-N~1~-(2-ethylphenyl)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

4912-1424

Molecular Formula

C24H30N2O4S (C24 H30 N2 O4 S)

Compound Name

2-{4-[2-(2-ethylanilino)-2-oxoethyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-N~1~-(2-ethylphenyl)acetamide

IUPAC name

N-(2-ethylphenyl)-2-(4-{[(2-ethylphenyl)carbamoyl]methyl}-11-dioxo-1lambda6-thiolan-3-yl)acetamide

SMILES

CCc(cccc1)c1NC(CC(C1)C(CC(Nc2c(CC)cccc2)=O)CS1(=O)=O)=O

InChI

InChI=1S/C24H30N2O4S/c1-3-17-9-5-7-11-21(17)25-23(27)13-19-15-31(29,30)16-20(19)14-24(28)26-22-12-8-6-10-18(22)4-2/h5-12,19-20H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)

InChI Key

MCGIMKMNMDEYAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01123496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.35

Polar Surface Area

73.228

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

4912-1424 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4912-1424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-1424?
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What is the minimum amount of 4912-1424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-1424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-1424
  • 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 4912-1424 available by request