5189-1287 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-imine

5189-1287 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-imine
5189-1287 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5189-1287
1-[2-(4-methoxyphenoxy)ethyl]-3-pentyl-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

5189-1287

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN(c(cccc1)c1N1CCOc(cc2)ccc2OC)C1=N

InChI

InChI=1S/C21H27N3O2/c1-3-4-7-14-23-19-8-5-6-9-20(19)24(21(23)22)15-16-26-18-12-10-17(25-2)11-13-18/h5-6,8-13,22H,3-4,7,14-16H2,1-2H3

InChI Key

ACNZSQMKTPGWHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08677854

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-4.98

Polar Surface Area

36.772

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 5189-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5189-1287?
Check Price and Availability of 5189-1287, 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 5189-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5189-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5189-1287
  • 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 5189-1287 available by request