1889-2912 Screening compound: (2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide

1889-2912 Screening compound: (2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide
1889-2912 Screening compound: (2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2912
(2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide

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

1889-2912

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

(2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-[4-(piperidin-1-yl)phenyl]prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(cc1)ccc1N1CCCCC1

InChI

InChI=1S/C20H22N2O/c23-20(14-9-17-7-3-1-4-8-17)21-18-10-12-19(13-11-18)22-15-5-2-6-16-22/h1,3-4,7-14H,2,5-6,15-16H2,(H,21,23)

InChI Key

QQVYQPRHMJHHHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00654638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.29

Polar Surface Area

26.569

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1889-2912 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2912?
Check Price and Availability of 1889-2912, 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 1889-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2912
  • 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 1889-2912 available by request