8018-6892 Screening compound: 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-6-methoxy-3,4-dihydro-1H-isochromen-7-yl methyl ether

8018-6892 Screening compound: 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-6-methoxy-3,4-dihydro-1H-isochromen-7-yl methyl ether
8018-6892 Screening compound: 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-6-methoxy-3,4-dihydro-1H-isochromen-7-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6892
1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-6-methoxy-3,4-dihydro-1H-isochromen-7-yl methyl ether

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

8018-6892

Molecular Formula

C24H30N2O5 (C24 H30 N2 O5)

Compound Name

1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-6-methoxy-3,4-dihydro-1H-isochromen-7-yl methyl ether

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[(67-dimethoxy-34-dihydro-1H-2-benzopyran-1-yl)methyl]piperazine

SMILES

COc1cc(CCOC2CN3CCN(Cc(cc4)cc5c4OCO5)CC3)c2cc1OC

InChI

InChI=1S/C24H30N2O5/c1-27-21-12-18-5-10-29-24(19(18)13-22(21)28-2)15-26-8-6-25(7-9-26)14-17-3-4-20-23(11-17)31-16-30-20/h3-4,11-13,24H,5-10,14-16H2,1-2H3/t24-/m0/s1

InChI Key

CBVGGFVGOHDVCK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08142508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

1.057

Water Solubility, LogSw

-2.71

Polar Surface Area

48.520

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8018-6892 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6892?
Check Price and Availability of 8018-6892, 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 8018-6892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6892
  • 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 8018-6892 available by request