5390-1466 Screening compound: ethyl 2-{3-[(2-fluorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

5390-1466 Screening compound: ethyl 2-{3-[(2-fluorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
5390-1466 Screening compound: ethyl 2-{3-[(2-fluorophenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1466
ethyl 2-{3-[(2-fluorophenyl)methyl]-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

5390-1466

Molecular Formula

C18H18FN3O2 (C18 H18 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(c(cccc1)c1N1Cc(cccc2)c2F)C1=N)=O

InChI

InChI=1S/C18H18FN3O2/c1-2-24-17(23)12-22-16-10-6-5-9-15(16)21(18(22)20)11-13-7-3-4-8-14(13)19/h3-10,20H,2,11-12H2,1H3/b20-18-

InChI Key

KNGMPKXLJRYQNI-ZZEZOPTASA-N

MDL Number (MFCD)

MFCD03286914

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.49

Polar Surface Area

42.013

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5390-1466 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5390-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1466?
Check Price and Availability of 5390-1466, 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 5390-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1466
  • 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 5390-1466 available by request