7494-0024 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

7494-0024 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine
7494-0024 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7494-0024
1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

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

7494-0024

Molecular Formula

C19H20FN3O (C19 H20 FN3 O)

Compound Name

1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

IUPAC name

1-[3-(4-fluorophenoxy)propyl]-3-(prop-2-en-1-yl)-23-dihydro-1H-13-benzodiazol-2-imine

SMILES

C=CCN(c(cccc1)c1N1CCCOc(cc2)ccc2F)C1=N

InChI

InChI=1S/C19H20FN3O/c1-2-12-22-17-6-3-4-7-18(17)23(19(22)21)13-5-14-24-16-10-8-15(20)9-11-16/h2-4,6-11,21H,1,5,12-14H2

InChI Key

BJAOAWRSWZMBGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712752

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.19

Polar Surface Area

29.229

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7494-0024 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7494-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7494-0024?
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What is the minimum amount of 7494-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7494-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7494-0024
  • 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 7494-0024 available by request