3254-1002 Screening compound: 2,6-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol

3254-1002 Screening compound: 2,6-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol
3254-1002 Screening compound: 2,6-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1002
2,6-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol

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

3254-1002

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

2,6-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol

IUPAC name

26-dimethoxy-4-[(E)-({4-[(4-methylphenyl)methyl]piperazin-1-yl}imino)methyl]phenol

SMILES

Cc1ccc(CN(CC2)CCN2/N=C/c(cc2OC)cc(OC)c2O)cc1

InChI

InChI=1S/C21H27N3O3/c1-16-4-6-17(7-5-16)15-23-8-10-24(11-9-23)22-14-18-12-19(26-2)21(25)20(13-18)27-3/h4-7,12-14,25H,8-11,15H2,1-3H3

InChI Key

YKOHJTAMXQFELQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

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

2.690

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-2.41

Polar Surface Area

47.586

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3254-1002 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 3254-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1002?
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What is the minimum amount of 3254-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1002
  • 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 3254-1002 available by request