4120-0143 Screening compound: methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

4120-0143 Screening compound: methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
4120-0143 Screening compound: methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4120-0143
methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

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

4120-0143

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

IUPAC name

methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

SMILES

CC(c1ccccc1)n1c(C(OC)=O)cnc1

InChI

InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3/t10-/m0/s1

InChI Key

FHFZEKYDSVTYLL-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01721714

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.07

Polar Surface Area

32.242

Acid Dissociation Constant (pKa)

19.78

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4120-0143 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4120-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4120-0143?
Check Price and Availability of 4120-0143, 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 4120-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4120-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4120-0143
  • 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 4120-0143 available by request