D103-0451 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide

D103-0451 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide
D103-0451 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-0451
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide

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

D103-0451

Molecular Formula

C16H17NO5S (C16 H17 NO5 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-6-ethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

CCc(cc1)cc2c1OC(C(NC(CC1)CS1(=O)=O)=O)=CC2=O

InChI

InChI=1S/C16H17NO5S/c1-2-10-3-4-14-12(7-10)13(18)8-15(22-14)16(19)17-11-5-6-23(20,21)9-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1

InChI Key

MPXLMDDFCYUNQS-LLVKDONJSA-N

MDL Number (MFCD)

MFCD07427730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.548

Distribution Coefficient, logD

1.548

Water Solubility, LogSw

-2.60

Polar Surface Area

74.633

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D103-0451 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D103-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-0451?
Check Price and Availability of D103-0451, 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 D103-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-0451
  • 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 D103-0451 available by request