3253-4668 Screening compound: methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate

3253-4668 Screening compound: methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate
3253-4668 Screening compound: methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4668
methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate

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

3253-4668

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate

IUPAC name

methyl 4-[(Z)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]benzoate

SMILES

Cc1ccc(CN(CC2)CCN2/N=C\c(cc2)ccc2C(OC)=O)cc1

InChI

InChI=1S/C21H25N3O2/c1-17-3-5-19(6-4-17)16-23-11-13-24(14-12-23)22-15-18-7-9-20(10-8-18)21(25)26-2/h3-10,15H,11-14,16H2,1-2H3

InChI Key

DRKJCKMXAOHFGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.32

Polar Surface Area

38.020

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3253-4668 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-4668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4668?
Check Price and Availability of 3253-4668, 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 3253-4668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4668
  • 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 3253-4668 available by request