1445-0174 Screening compound: N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

1445-0174 Screening compound: N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide
1445-0174 Screening compound: N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1445-0174
N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

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

1445-0174

Molecular Formula

C27H28N2O3 (C27 H28 N2 O3)

Compound Name

N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

IUPAC name

N-[(1Z)-1-(4-ethoxynaphthalen-1-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

SMILES

CCOc1ccc(/C=C(/C(N2CCCCC2)=O)\NC(c2ccccc2)=O)c2ccccc12

InChI

InChI=1S/C27H28N2O3/c1-2-32-25-16-15-21(22-13-7-8-14-23(22)25)19-24(27(31)29-17-9-4-10-18-29)28-26(30)20-11-5-3-6-12-20/h3,5-8,11-16,19H,2,4,9-10,17-18H2,1H3,(H,28,30)

InChI Key

PVINCJMVXRVUTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00618105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-5.37

Polar Surface Area

45.750

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

1445-0174 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 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 1445-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1445-0174?
Check Price and Availability of 1445-0174, 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 1445-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1445-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1445-0174
  • 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 1445-0174 available by request