Y030-9352 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]acetamide

Y030-9352 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]acetamide
Y030-9352 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9352
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]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

Y030-9352

Molecular Formula

C17H17NO3S (C17 H17 NO3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1SCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H17NO3S/c1-12-2-5-14(6-3-12)22-10-17(19)18-9-13-4-7-15-16(8-13)21-11-20-15/h2-8H,9-11H2,1H3,(H,18,19)

InChI Key

YGUVMHZXXVWJRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02722016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.61

Polar Surface Area

41.554

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y030-9352 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y030-9352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9352?
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What is the minimum amount of Y030-9352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9352
  • 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 Y030-9352 available by request