D051-0261 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-(3-methylphenoxy)acetamide

D051-0261 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-(3-methylphenoxy)acetamide
D051-0261 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0261
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-(3-methylphenoxy)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

D051-0261

Molecular Formula

C18H21NO5S (C18 H21 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCC(N(Cc2ccco2)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C18H21NO5S/c1-14-4-2-5-16(10-14)24-12-18(20)19(11-17-6-3-8-23-17)15-7-9-25(21,22)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3/t15-/m1/s1

InChI Key

NTBZIQFPASEZLD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04175157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-2.48

Polar Surface Area

58.580

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D051-0261 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D051-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0261?
Check Price and Availability of D051-0261, 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 D051-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0261
  • 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 D051-0261 available by request