6214-0628 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(4-isopropylbenzyl)acetamide

6214-0628 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(4-isopropylbenzyl)acetamide
6214-0628 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(4-isopropylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0628
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(4-isopropylbenzyl)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

6214-0628

Molecular Formula

C24H31NO4S (C24 H31 NO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(4-isopropylbenzyl)acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-ethylphenoxy)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

SMILES

CCc(cc1)ccc1OCC(N(Cc1ccc(C(C)C)cc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C24H31NO4S/c1-4-19-7-11-23(12-8-19)29-16-24(26)25(22-13-14-30(27,28)17-22)15-20-5-9-21(10-6-20)18(2)3/h5-12,18,22H,4,13-17H2,1-3H3/t22-/m1/s1

InChI Key

IJMCCLDAFDTGGN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04447247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-3.85

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6214-0628 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6214-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0628?
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What is the minimum amount of 6214-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0628
  • 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 6214-0628 available by request