3253-4658 Screening compound: (Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine

3253-4658 Screening compound: (Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine
3253-4658 Screening compound: (Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4658
(Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine

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

3253-4658

Molecular Formula

C26H29N3O (C26 H29 N3 O)

Compound Name

(Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine

IUPAC name

(Z)-1-[3-(benzyloxy)phenyl]-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine

SMILES

Cc1ccc(CN(CC2)CCN2/N=C\c2cccc(OCc3ccccc3)c2)cc1

InChI

InChI=1S/C26H29N3O/c1-22-10-12-23(13-11-22)20-28-14-16-29(17-15-28)27-19-25-8-5-9-26(18-25)30-21-24-6-3-2-4-7-24/h2-13,18-19H,14-17,20-21H2,1H3

InChI Key

IVQGYFFKCHXWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.86

Polar Surface Area

24.074

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

3253-4658 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-4658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4658?
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What is the minimum amount of 3253-4658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4658
  • 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 3253-4658 available by request