4286-0018 Screening compound: ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate

4286-0018 Screening compound: ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate
4286-0018 Screening compound: ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0018
ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate

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

4286-0018

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate

IUPAC name

ethyl (3E)-3-{[5-benzoyl-1-(4-methoxyphenyl)-1H-imidazol-4-yl]imino}butanoate

SMILES

CCOC(C/C(/C)=N/c(nc1)c(C(c2ccccc2)=O)n1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H23N3O4/c1-4-30-20(27)14-16(2)25-23-21(22(28)17-8-6-5-7-9-17)26(15-24-23)18-10-12-19(29-3)13-11-18/h5-13,15H,4,14H2,1-3H3

InChI Key

VNPMNJOJSDMZEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01855655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.81

Polar Surface Area

60.041

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4286-0018 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4286-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0018?
Check Price and Availability of 4286-0018, 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 4286-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0018
  • 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 4286-0018 available by request