Y030-7711 Screening compound: 2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

Y030-7711 Screening compound: 2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
Y030-7711 Screening compound: 2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7711
2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]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

Y030-7711

Molecular Formula

C17H18FNOS (C17 H18 FNOS)

Compound Name

2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

IUPAC name

2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

SMILES

O=C(CSCc1ccccc1)NCCc(cc1)ccc1F

InChI

InChI=1S/C17H18FNOS/c18-16-8-6-14(7-9-16)10-11-19-17(20)13-21-12-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)

InChI Key

KBCOFPKGCJPZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03637705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.27

Polar Surface Area

24.280

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y030-7711 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y030-7711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7711?
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What is the minimum amount of Y030-7711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7711
  • 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 Y030-7711 available by request