0312-0017 Screening compound: (2E)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)prop-2-en-1-one

0312-0017 Screening compound: (2E)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)prop-2-en-1-one
0312-0017 Screening compound: (2E)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0312-0017
(2E)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)prop-2-en-1-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

0312-0017

Molecular Formula

C16H18N2O (C16 H18 N2 O)

Compound Name

(2E)-3-(1H-indol-3-yl)-1-(piperidin-1-yl)prop-2-en-1-one

IUPAC name

n/a

SMILES

O=C(/C=C/c1c[nH]c2c1cccc2)N1CCCCC1

InChI

InChI=1S/C16H18N2O/c19-16(18-10-4-1-5-11-18)9-8-13-12-17-15-7-3-2-6-14(13)15/h2-3,6-9,12,17H,1,4-5,10-11H2

InChI Key

GOFNFQSZIIUMDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.06

Polar Surface Area

26.230

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

0312-0017 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0312-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0312-0017?
Check Price and Availability of 0312-0017, 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 0312-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0312-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0312-0017
  • 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 0312-0017 available by request