6220-0414 Screening compound: 1-(2-phenylethyl)-1H-imidazole-2-thiol

6220-0414 Screening compound: 1-(2-phenylethyl)-1H-imidazole-2-thiol
6220-0414 Screening compound: 1-(2-phenylethyl)-1H-imidazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-0414
1-(2-phenylethyl)-1H-imidazole-2-thiol

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

6220-0414

Molecular Formula

C11H12N2S (C11 H12 N2 S)

Compound Name

1-(2-phenylethyl)-1H-imidazole-2-thiol

IUPAC name

1-(2-phenylethyl)-1H-imidazole-2-thiol

SMILES

Sc1nccn1CCc1ccccc1

InChI

InChI=1S/C11H12N2S/c14-11-12-7-9-13(11)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,12,14)

InChI Key

XBZXYFCIMSXPKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-1.99

Polar Surface Area

10.782

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6220-0414 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6220-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-0414?
Check Price and Availability of 6220-0414, 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 6220-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-0414
  • 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 6220-0414 available by request