8015-3316 Screening compound: 3-oxo-5-phenyl-1-piperidino-3H-pyrrolizin-2-yl cyanide

8015-3316 Screening compound: 3-oxo-5-phenyl-1-piperidino-3H-pyrrolizin-2-yl cyanide
8015-3316 Screening compound: 3-oxo-5-phenyl-1-piperidino-3H-pyrrolizin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3316
3-oxo-5-phenyl-1-piperidino-3H-pyrrolizin-2-yl cyanide

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

8015-3316

Molecular Formula

C19H17N3O (C19 H17 N3 O)

Compound Name

3-oxo-5-phenyl-1-piperidino-3H-pyrrolizin-2-yl cyanide

IUPAC name

3-oxo-5-phenyl-1-(piperidin-1-yl)-3H-pyrrolizine-2-carbonitrile

SMILES

N#CC(C(n1c(-c2ccccc2)ccc11)=O)=C1N1CCCCC1

InChI

InChI=1S/C19H17N3O/c20-13-15-18(21-11-5-2-6-12-21)17-10-9-16(22(17)19(15)23)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-12H2

InChI Key

JMXYXYGVEAHENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-3.89

Polar Surface Area

35.188

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8015-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3316?
Check Price and Availability of 8015-3316, 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 8015-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3316
  • 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 8015-3316 available by request