D051-0066 Screening compound: 2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

D051-0066 Screening compound: 2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide
D051-0066 Screening compound: 2-(2,3-dimethylphenoxy)-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 D051-0066
2-(2,3-dimethylphenoxy)-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

D051-0066

Molecular Formula

C20H25NO4S2 (C20 H25 NO4 S2)

Compound Name

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

IUPAC name

2-(23-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(COc2c(C)c(C)ccc2)=O)scc1

InChI

InChI=1S/C20H25NO4S2/c1-14-5-4-6-18(16(14)3)25-12-20(22)21(11-19-15(2)7-9-26-19)17-8-10-27(23,24)13-17/h4-7,9,17H,8,10-13H2,1-3H3/t17-/m1/s1

InChI Key

FOTYJGCKKIQOJC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06648014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.55

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

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.12

Polar Surface Area

51.936

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D051-0066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 D051-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0066?
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What is the minimum amount of D051-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0066
  • 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 D051-0066 available by request