8013-6366 Screening compound: 2-(1H-imidazol-1-yl)-1-phenylethyl acetate

8013-6366 Screening compound: 2-(1H-imidazol-1-yl)-1-phenylethyl acetate
8013-6366 Screening compound: 2-(1H-imidazol-1-yl)-1-phenylethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6366
2-(1H-imidazol-1-yl)-1-phenylethyl acetate

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

8013-6366

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

2-(1H-imidazol-1-yl)-1-phenylethyl acetate

IUPAC name

2-(1H-imidazol-1-yl)-1-phenylethyl acetate

SMILES

CC(OC(Cn1cncc1)c1ccccc1)=O

InChI

InChI=1S/C13H14N2O2/c1-11(16)17-13(9-15-8-7-14-10-15)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3/t13-/m0/s1

InChI Key

QPBBYIRHBLMQLQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03767197

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

1.575

Water Solubility, LogSw

-1.35

Polar Surface Area

33.193

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8013-6366 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Eye
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6366?
Check Price and Availability of 8013-6366, 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 8013-6366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6366
  • 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 8013-6366 available by request