7494-0025 Screening compound: 1-[3-(4-bromophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

7494-0025 Screening compound: 1-[3-(4-bromophenoxy)propyl]-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine
7494-0025 Screening compound: 1-[3-(4-bromophenoxy)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 7494-0025
1-[3-(4-bromophenoxy)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

7494-0025

Molecular Formula

C19H20BrN3O (C19 H20 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(c(cccc1)c1N1CCCOc(cc2)ccc2Br)C1=N

InChI

InChI=1S/C19H20BrN3O/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

KBLKROQRRYWYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08673769

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.29

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

4.993

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.70

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

7494-0025 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7494-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7494-0025?
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What is the minimum amount of 7494-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7494-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7494-0025
  • 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 7494-0025 available by request