D051-0041 Screening compound: 2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

D051-0041 Screening compound: 2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide
D051-0041 Screening compound: 2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0041
2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]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

D051-0041

Molecular Formula

C18H20ClNO4S2 (C18 H20 ClNO4 S2)

Compound Name

2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

IUPAC name

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

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(COc(cccc2)c2Cl)=O)scc1

InChI

InChI=1S/C18H20ClNO4S2/c1-13-6-8-25-17(13)10-20(14-7-9-26(22,23)12-14)18(21)11-24-16-5-3-2-4-15(16)19/h2-6,8,14H,7,9-12H2,1H3/t14-/m0/s1

InChI Key

TVNMTZLQAQFKCF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06645994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.03

Polar Surface Area

51.936

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D051-0041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with D051-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0041?
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What is the minimum amount of D051-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0041
  • 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 D051-0041 available by request