4745-0028 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine

4745-0028 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine
4745-0028 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4745-0028
1-[2-(4-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]-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

4745-0028

Molecular Formula

C24H25N3O2 (C24 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(c(cccc2)c2N2CCOc(cc3)ccc3OC)C2=N)cccc1

InChI

InChI=1S/C24H25N3O2/c1-18-7-3-4-8-19(18)17-27-23-10-6-5-9-22(23)26(24(27)25)15-16-29-21-13-11-20(28-2)12-14-21/h3-14,25H,15-17H2,1-2H3

InChI Key

QDEWTNCEDUJTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447942

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-5.45

Polar Surface Area

36.522

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4745-0028 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 4745-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4745-0028?
Check Price and Availability of 4745-0028, 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 4745-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4745-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4745-0028
  • 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 4745-0028 available by request