5189-1272 Screening compound: 1-benzyl-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

5189-1272 Screening compound: 1-benzyl-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine
5189-1272 Screening compound: 1-benzyl-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5189-1272
1-benzyl-3-(2-phenoxyethyl)-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

5189-1272

Molecular Formula

C22H21N3O (C22 H21 N3 O)

Compound Name

1-benzyl-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

IUPAC name

1-benzyl-3-(2-phenoxyethyl)-23-dihydro-1H-13-benzodiazol-2-imine

SMILES

N=C1N(Cc2ccccc2)c(cccc2)c2N1CCOc1ccccc1

InChI

InChI=1S/C22H21N3O/c23-22-24(15-16-26-19-11-5-2-6-12-19)20-13-7-8-14-21(20)25(22)17-18-9-3-1-4-10-18/h1-14,23H,15-17H2

InChI Key

SWYHDLMPLNYQRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541822

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

343.43

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

4.884

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.76

Polar Surface Area

28.979

Acid Dissociation Constant (pKa)

29.32

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5189-1272 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5189-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5189-1272?
Check Price and Availability of 5189-1272, 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 5189-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5189-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5189-1272
  • 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 5189-1272 available by request