8016-2450 Screening compound: 8-(2-furyl)-3,3-dimethyl-6-(4-methylpiperidino)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide

8016-2450 Screening compound: 8-(2-furyl)-3,3-dimethyl-6-(4-methylpiperidino)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide
8016-2450 Screening compound: 8-(2-furyl)-3,3-dimethyl-6-(4-methylpiperidino)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2450
8-(2-furyl)-3,3-dimethyl-6-(4-methylpiperidino)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-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

8016-2450

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

8-(2-furyl)-3,3-dimethyl-6-(4-methylpiperidino)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide

IUPAC name

8-(furan-2-yl)-33-dimethyl-6-(4-methylpiperidin-1-yl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(CC1)CCN1c(nc(-c1ccco1)c1c2CC(C)(C)OC1)c2C#N

InChI

InChI=1S/C21H25N3O2/c1-14-6-8-24(9-7-14)20-16(12-22)15-11-21(2,3)26-13-17(15)19(23-20)18-5-4-10-25-18/h4-5,10,14H,6-9,11,13H2,1-3H3

InChI Key

FTTKRWIAIFBRFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.77

Polar Surface Area

45.991

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

8016-2450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2450?
Check Price and Availability of 8016-2450, 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 8016-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2450
  • 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 8016-2450 available by request