3253-1095 Screening compound: 4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-N,N-diethylaniline

3253-1095 Screening compound: 4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-N,N-diethylaniline
3253-1095 Screening compound: 4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-N,N-diethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-1095
4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-N,N-diethylaniline

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

3253-1095

Molecular Formula

C22H29ClN4 (C22 H29 ClN4)

Compound Name

4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-N,N-diethylaniline

IUPAC name

4-[({4-[(2-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-NN-diethylaniline

SMILES

CCN(CC)c1ccc(C=NN2CCN(Cc(cccc3)c3Cl)CC2)cc1

InChI

InChI=1S/C22H29ClN4/c1-3-26(4-2)21-11-9-19(10-12-21)17-24-27-15-13-25(14-16-27)18-20-7-5-6-8-22(20)23/h5-12,17H,3-4,13-16,18H2,1-2H3

InChI Key

IEFBPLMVUXKBJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.95

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.71

Polar Surface Area

19.582

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

3253-1095 in Drug Discovery

Included in Screening Libraries

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 3253-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-1095?
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What is the minimum amount of 3253-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-1095
  • 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 3253-1095 available by request