Y031-0168 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0168 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0168 Screening compound: N-(3,5-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0168
N-(3,5-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

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

Y031-0168

Molecular Formula

C18H21NO2S (C18 H21 NO2 S)

Compound Name

N-(3,5-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-(35-dimethylphenyl)-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

Cc1cc(NC(c(cccc2)c2SCCOC)=O)cc(C)c1

InChI

InChI=1S/C18H21NO2S/c1-13-10-14(2)12-15(11-13)19-18(20)16-6-4-5-7-17(16)22-9-8-21-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)

InChI Key

MHTAAZFSKJMLLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.94

Polar Surface Area

31.672

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y031-0168 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y031-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0168?
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What is the minimum amount of Y031-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0168
  • 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 Y031-0168 available by request