3254-1045 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2,6-dimethoxyphenol

3254-1045 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2,6-dimethoxyphenol
3254-1045 Screening compound: 4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1045
4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2,6-dimethoxyphenol

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

3254-1045

Molecular Formula

C20H24ClN3O3 (C20 H24 ClN3 O3)

Compound Name

4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-2,6-dimethoxyphenol

IUPAC name

4-[(E)-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}imino)methyl]-26-dimethoxyphenol

SMILES

COc1cc(/C=N/N2CCN(Cc(cc3)ccc3Cl)CC2)cc(OC)c1O

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-11-16(12-19(27-2)20(18)25)13-22-24-9-7-23(8-10-24)14-15-3-5-17(21)6-4-15/h3-6,11-13,25H,7-10,14H2,1-2H3

InChI Key

JTLDDIHGTHJCPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.13

Polar Surface Area

47.586

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3254-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1045?
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What is the minimum amount of 3254-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1045
  • 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 3254-1045 available by request