Y031-0253 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

Y031-0253 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide
Y031-0253 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0253
N-(2H-1,3-benzodioxol-5-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

Y031-0253

Molecular Formula

C17H17NO4S (C17 H17 NO4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(2-methoxyethyl)sulfanyl]benzamide

SMILES

COCCSc(cccc1)c1C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H17NO4S/c1-20-8-9-23-16-5-3-2-4-13(16)17(19)18-12-6-7-14-15(10-12)22-11-21-14/h2-7,10H,8-9,11H2,1H3,(H,18,19)

InChI Key

LUASKFQYZAOZLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06010800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

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

2.944

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.64

Polar Surface Area

48.788

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y031-0253 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 Y031-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0253?
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What is the minimum amount of Y031-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0253
  • 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 Y031-0253 available by request