D051-0287 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)acetamide

D051-0287 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)acetamide
D051-0287 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0287
2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)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

D051-0287

Molecular Formula

C19H22ClNO5S (C19 H22 ClNO5 S)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1cc(OCC(N(Cc2ccco2)C(CC2)CS2(=O)=O)=O)cc(C)c1Cl

InChI

InChI=1S/C19H22ClNO5S/c1-13-8-17(9-14(2)19(13)20)26-11-18(22)21(10-16-4-3-6-25-16)15-5-7-27(23,24)12-15/h3-4,6,8-9,15H,5,7,10-12H2,1-2H3/t15-/m0/s1

InChI Key

DMFOGQSFMMAYJO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04181827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

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

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.61

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

42.10

D051-0287 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with D051-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0287?
Check Price and Availability of D051-0287, 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 D051-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0287
  • 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 D051-0287 available by request