Y031-0248 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0248 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0248 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

Y031-0248

Molecular Formula

C18H19NO4S (C18 H19 NO4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

COCCSc(cccc1)c1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C18H19NO4S/c1-21-10-11-24-17-5-3-2-4-14(17)18(20)19-13-6-7-15-16(12-13)23-9-8-22-15/h2-7,12H,8-11H2,1H3,(H,19,20)

InChI Key

HBMKCVVZARRHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-3.12

Polar Surface Area

47.495

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y031-0248 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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 Y031-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0248?
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What is the minimum amount of Y031-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0248
  • 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 Y031-0248 available by request