4745-0032 Screening compound: 1-allyl-3-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-2-imine

4745-0032 Screening compound: 1-allyl-3-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-2-imine
4745-0032 Screening compound: 1-allyl-3-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4745-0032
1-allyl-3-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-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

4745-0032

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

1-allyl-3-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydro-2H-1,3-benzimidazol-2-imine

IUPAC name

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

SMILES

COc(cc1)ccc1OCCN(c(cccc1)c1N1CC=C)C1=N

InChI

InChI=1S/C19H21N3O2/c1-3-12-21-17-6-4-5-7-18(17)22(19(21)20)13-14-24-16-10-8-15(23-2)9-11-16/h3-11,20H,1,12-14H2,2H3

InChI Key

ZFQQOUGYUGBVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447944

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

323.39

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

3.779

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.00

Polar Surface Area

36.772

Acid Dissociation Constant (pKa)

30.37

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 4745-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4745-0032?
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What is the minimum amount of 4745-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4745-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4745-0032
  • 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 4745-0032 available by request