7494-0049 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylpropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine

7494-0049 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylpropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine
7494-0049 Screening compound: 1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylpropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7494-0049
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylpropyl)-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

7494-0049

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(c(cccc1)c1N1CCOc(cccc2)c2OC)C1=N

InChI

InChI=1S/C20H25N3O2/c1-15(2)14-23-17-9-5-4-8-16(17)22(20(23)21)12-13-25-19-11-7-6-10-18(19)24-3/h4-11,15,21H,12-14H2,1-3H3

InChI Key

WCTJFUPQWBNXGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08673772

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

339.44

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

4.235

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.22

Polar Surface Area

36.967

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 7494-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7494-0049?
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What is the minimum amount of 7494-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7494-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7494-0049
  • 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 7494-0049 available by request