5390-1474 Screening compound: ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

5390-1474 Screening compound: ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
5390-1474 Screening compound: ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1474
ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}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

5390-1474

Molecular Formula

C19H20FN3O3 (C19 H20 FN3 O3)

Compound Name

ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

ethyl 2-{3-[2-(4-fluorophenoxy)ethyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}acetate

SMILES

CCOC(CN(c(cccc1)c1N1CCOc(cc2)ccc2F)C1=N)=O

InChI

InChI=1S/C19H20FN3O3/c1-2-25-18(24)13-23-17-6-4-3-5-16(17)22(19(23)21)11-12-26-15-9-7-14(20)8-10-15/h3-10,21H,2,11-13H2,1H3

InChI Key

WUECHLAAKWYOFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298733

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

357.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.46

Polar Surface Area

49.409

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

5390-1474 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5390-1474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1474?
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What is the minimum amount of 5390-1474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1474
  • 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 5390-1474 available by request