3254-1022 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate

3254-1022 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate
3254-1022 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1022
4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate

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

3254-1022

Molecular Formula

C21H24ClN3O3 (C21 H24 ClN3 O3)

Compound Name

4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate

IUPAC name

4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=N/N1CCN(Cc(cc2)ccc2Cl)CC1)c1)c1OC)=O

InChI

InChI=1S/C21H24ClN3O3/c1-16(26)28-20-8-5-18(13-21(20)27-2)14-23-25-11-9-24(10-12-25)15-17-3-6-19(22)7-4-17/h3-8,13-14H,9-12,15H2,1-2H3

InChI Key

LNGJPSMEBILURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-4.12

Polar Surface Area

45.314

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3254-1022 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 3254-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1022?
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What is the minimum amount of 3254-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1022
  • 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 3254-1022 available by request