8012-4123 Screening compound: 2-(benzylsulfanyl)-N~1~-phenylacetamide

8012-4123 Screening compound: 2-(benzylsulfanyl)-N~1~-phenylacetamide
8012-4123 Screening compound: 2-(benzylsulfanyl)-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4123
2-(benzylsulfanyl)-N~1~-phenylacetamide

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

8012-4123

Molecular Formula

C15H15NOS (C15 H15 NOS)

Compound Name

2-(benzylsulfanyl)-N~1~-phenylacetamide

IUPAC name

2-(benzylsulfanyl)-N-phenylacetamide

SMILES

O=C(CSCc1ccccc1)Nc1ccccc1

InChI

InChI=1S/C15H15NOS/c17-15(16-14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)

InChI Key

BSVKTDZTZBLGIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02354282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.36

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

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.60

Polar Surface Area

23.116

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8012-4123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-4123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4123?
Check Price and Availability of 8012-4123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-4123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4123
  • 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 8012-4123 available by request