4466-0693 Screening compound: (1E)-N-(3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethan-1-imine

4466-0693 Screening compound: (1E)-N-(3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethan-1-imine
4466-0693 Screening compound: (1E)-N-(3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethan-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4466-0693
(1E)-N-(3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethan-1-imine

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

4466-0693

Molecular Formula

C16H21NO2 (C16 H21 NO2)

Compound Name

(1E)-N-(3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethan-1-imine

IUPAC name

(1E)-N-(3-methylphenyl)-2-(4455-tetramethyl-13-dioxolan-2-ylidene)ethan-1-imine

SMILES

CC(C)(C(C)(C)O1)OC1=C/C=N/c1cc(C)ccc1

InChI

InChI=1S/C16H21NO2/c1-12-7-6-8-13(11-12)17-10-9-14-18-15(2,3)16(4,5)19-14/h6-11H,1-5H3

InChI Key

NZCGKUQFRUXAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826845

Chemical and Physical Properties

Saltdata

HBF4

Molecular Weight

259.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.58

Polar Surface Area

24.765

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4466-0693 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4466-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4466-0693?
Check Price and Availability of 4466-0693, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4466-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4466-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4466-0693
  • 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 4466-0693 available by request