3993-2617 Screening compound: (3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one

3993-2617 Screening compound: (3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one
3993-2617 Screening compound: (3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2617
(3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one

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

3993-2617

Molecular Formula

C24H27NO5 (C24 H27 NO5)

Compound Name

(3Z,5E)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one

IUPAC name

(3Z5E)-35-bis[(34-dimethoxyphenyl)methylidene]-1-methylpiperidin-4-one

SMILES

CN(C/C(/C1=O)=C\c(cc2)cc(OC)c2OC)C/C1=C/c(cc1)cc(OC)c1OC

InChI

InChI=1S/C24H27NO5/c1-25-14-18(10-16-6-8-20(27-2)22(12-16)29-4)24(26)19(15-25)11-17-7-9-21(28-3)23(13-17)30-5/h6-13H,14-15H2,1-5H3

InChI Key

LBPQIXCPSBVRDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.19

Polar Surface Area

46.899

Acid Dissociation Constant (pKa)

32.13

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3993-2617 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3993-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2617?
Check Price and Availability of 3993-2617, 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 3993-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2617
  • 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 3993-2617 available by request