Y032-4110 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

Y032-4110 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Y032-4110 Screening compound: 2-(benzylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4110
2-(benzylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)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

Y032-4110

Molecular Formula

C18H19NOS (C18 H19 NOS)

Compound Name

2-(benzylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

IUPAC name

2-(benzylsulfanyl)-N-(23-dihydro-1H-inden-5-yl)acetamide

SMILES

O=C(CSCc1ccccc1)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C18H19NOS/c20-18(13-21-12-14-5-2-1-3-6-14)19-17-10-9-15-7-4-8-16(15)11-17/h1-3,5-6,9-11H,4,7-8,12-13H2,(H,19,20)

InChI Key

SWXNMBXBARQABQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07140620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.40

Polar Surface Area

23.403

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y032-4110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y032-4110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4110?
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What is the minimum amount of Y032-4110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4110
  • 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 Y032-4110 available by request