8018-6050 Screening compound: 6,7-dimethoxy-1'-methyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidine]

8018-6050 Screening compound: 6,7-dimethoxy-1'-methyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidine]
8018-6050 Screening compound: 6,7-dimethoxy-1'-methyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6050
6,7-dimethoxy-1'-methyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidine]

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

8018-6050

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

6,7-dimethoxy-1'-methyl-3,4-dihydrospiro[2-benzopyran-1,4'-piperidine]

IUPAC name

67-dimethoxy-1'-methyl-34-dihydrospiro[2-benzopyran-14'-piperidine]

SMILES

CN(CC1)CCC11OCCc(cc2OC)c1cc2OC

InChI

InChI=1S/C16H23NO3/c1-17-7-5-16(6-8-17)13-11-15(19-3)14(18-2)10-12(13)4-9-20-16/h10-11H,4-9H2,1-3H3

InChI Key

BPEDKHLASBKSDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800784

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

277.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

0.008

Water Solubility, LogSw

-2.28

Polar Surface Area

26.114

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8018-6050 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-6050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6050?
Check Price and Availability of 8018-6050, 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 8018-6050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6050
  • 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 8018-6050 available by request