C151-0177 Screening compound: (3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one

C151-0177 Screening compound: (3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one
C151-0177 Screening compound: (3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0177
(3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-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

C151-0177

Molecular Formula

C26H31NO7 (C26 H31 NO7)

Compound Name

(3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one

IUPAC name

(3Z5E)-1-methyl-35-bis[(234-trimethoxyphenyl)methylidene]piperidin-4-one

SMILES

CN(C/C(/C1=O)=C\c(ccc(OC)c2OC)c2OC)C/C1=C/c(ccc(OC)c1OC)c1OC

InChI

InChI=1S/C26H31NO7/c1-27-14-18(12-16-8-10-20(29-2)25(33-6)23(16)31-4)22(28)19(15-27)13-17-9-11-21(30-3)26(34-7)24(17)32-5/h8-13H,14-15H2,1-7H3

InChI Key

QIJNPXNDNGLJPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03693652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.00

Polar Surface Area

62.506

Acid Dissociation Constant (pKa)

32.13

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C151-0177 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C151-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0177?
Check Price and Availability of C151-0177, 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 C151-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0177
  • 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 C151-0177 available by request