8415-07825 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide

8415-07825 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
8415-07825 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-07825
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-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

8415-07825

Molecular Formula

C12H13N3OS (C12 H13 N3 OS)

Compound Name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide

IUPAC name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide

SMILES

Cn1c(SCC(Nc2ccccc2)=O)ncc1

InChI

InChI=1S/C12H13N3OS/c1-15-8-7-13-12(15)17-9-11(16)14-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,16)

InChI Key

MLJHRAQMSVTPDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.34

Polar Surface Area

36.035

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8415-07825 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8415-07825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-07825?
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What is the minimum amount of 8415-07825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-07825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-07825
  • 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 8415-07825 available by request