6264-0071 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

6264-0071 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
6264-0071 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6264-0071
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-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

6264-0071

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

O=C(CCN(CC1)Cc2c1cccc2)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H21NO3/c22-18(16-5-6-19-20(13-16)24-12-11-23-19)8-10-21-9-7-15-3-1-2-4-17(15)14-21/h1-6,13H,7-12,14H2

InChI Key

JBKHBQLYWOUEDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236238

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.775

Water Solubility, LogSw

-3.44

Polar Surface Area

32.681

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6264-0071 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6264-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6264-0071?
Check Price and Availability of 6264-0071, 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 6264-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6264-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6264-0071
  • 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 6264-0071 available by request