D076-0031 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-2-furamide

D076-0031 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-2-furamide
D076-0031 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0031
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-2-furamide

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

D076-0031

Molecular Formula

C17H19NO5S (C17 H19 NO5 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-2-furamide

IUPAC name

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

SMILES

COc1cccc(CN(C(CC2)CS2(=O)=O)C(c2ccco2)=O)c1

InChI

InChI=1S/C17H19NO5S/c1-22-15-5-2-4-13(10-15)11-18(14-7-9-24(20,21)12-14)17(19)16-6-3-8-23-16/h2-6,8,10,14H,7,9,11-12H2,1H3/t14-/m1/s1

InChI Key

DNQXDFDWQAPXLF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06647895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.226

Distribution Coefficient, logD

1.226

Water Solubility, LogSw

-2.16

Polar Surface Area

59.982

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D076-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D076-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0031?
Check Price and Availability of D076-0031, 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 D076-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0031
  • 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 D076-0031 available by request