8016-3318 Screening compound: 2-piperidino-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl cyanide

8016-3318 Screening compound: 2-piperidino-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl cyanide
8016-3318 Screening compound: 2-piperidino-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3318
2-piperidino-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-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

8016-3318

Molecular Formula

C17H23N3O (C17 H23 N3 O)

Compound Name

2-piperidino-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl cyanide

IUPAC name

2-(piperidin-1-yl)-7-propyl-5H7H8H-pyrano[43-b]pyridine-3-carbonitrile

SMILES

CCCC(C1)OCc(cc2C#N)c1nc2N1CCCCC1

InChI

InChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3/t15-/m0/s1

InChI Key

KRNAFDDKNWHFKO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03689203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.08

Polar Surface Area

39.312

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

8016-3318 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-3318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3318?
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What is the minimum amount of 8016-3318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3318
  • 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 8016-3318 available by request