5189-1293 Screening compound: 1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine

5189-1293 Screening compound: 1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine
5189-1293 Screening compound: 1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5189-1293
1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-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

5189-1293

Molecular Formula

C23H22FN3O (C23 H22 FN3 O)

Compound Name

1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine

IUPAC name

1-[(2-fluorophenyl)methyl]-3-[2-(4-methylphenoxy)ethyl]-23-dihydro-1H-13-benzodiazol-2-imine

SMILES

Cc(cc1)ccc1OCCN(c(cccc1)c1N1Cc(cccc2)c2F)C1=N

InChI

InChI=1S/C23H22FN3O/c1-17-10-12-19(13-11-17)28-15-14-26-21-8-4-5-9-22(21)27(23(26)25)16-18-6-2-3-7-20(18)24/h2-13,25H,14-16H2,1H3

InChI Key

JCMGXLZFAIKXJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08673790

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.243

Water Solubility, LogSw

-5.48

Polar Surface Area

28.979

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5189-1293 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5189-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5189-1293?
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What is the minimum amount of 5189-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5189-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5189-1293
  • 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 5189-1293 available by request