3253-1097 Screening compound: N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)methanimine

3253-1097 Screening compound: N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)methanimine
3253-1097 Screening compound: N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-1097
N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)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

3253-1097

Molecular Formula

C19H22ClN3O (C19 H22 ClN3 O)

Compound Name

N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)methanimine

IUPAC name

N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-1-(2-methoxyphenyl)methanimine

SMILES

COc1c(C=NN2CCN(Cc(cccc3)c3Cl)CC2)cccc1

InChI

InChI=1S/C19H22ClN3O/c1-24-19-9-5-3-6-16(19)14-21-23-12-10-22(11-13-23)15-17-7-2-4-8-18(17)20/h2-9,14H,10-13,15H2,1H3

InChI Key

XTUYRHZGUBVRJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.28

Polar Surface Area

24.477

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3253-1097 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3253-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-1097?
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What is the minimum amount of 3253-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-1097
  • 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 3253-1097 available by request