D051-0298 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-3-propoxybenzamide

D051-0298 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-3-propoxybenzamide
D051-0298 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0298
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-3-propoxybenzamide

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

D051-0298

Molecular Formula

C19H23NO5S (C19 H23 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-3-propoxybenzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]-3-propoxybenzamide

SMILES

CCCOc1cccc(C(N(Cc2ccco2)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C19H23NO5S/c1-2-9-24-17-6-3-5-15(12-17)19(21)20(13-18-7-4-10-25-18)16-8-11-26(22,23)14-16/h3-7,10,12,16H,2,8-9,11,13-14H2,1H3/t16-/m1/s1

InChI Key

MZBBAZXFFPSCSM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04187800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.80

Polar Surface Area

59.026

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D051-0298 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D051-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0298?
Check Price and Availability of D051-0298, 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 D051-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0298
  • 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 D051-0298 available by request