3357-0542 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine

3357-0542 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine
3357-0542 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3357-0542
(E)-1-(3,4-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}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

3357-0542

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

(E)-1-(3,4-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine

IUPAC name

(E)-1-(34-dimethoxyphenyl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-13-benzodiazol-2-yl}methanimine

SMILES

COc(ccc(/C=N/c1nc(cccc2)c2n1CCN1CCCCC1)c1)c1OC

InChI

InChI=1S/C23H28N4O2/c1-28-21-11-10-18(16-22(21)29-2)17-24-23-25-19-8-4-5-9-20(19)27(23)15-14-26-12-6-3-7-13-26/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3

InChI Key

ANIHURQLTHZYBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00967630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-4.06

Polar Surface Area

39.424

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

3357-0542 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3357-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3357-0542?
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What is the minimum amount of 3357-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3357-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3357-0542
  • 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 3357-0542 available by request