8019-6037 Screening compound: ({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine

8019-6037 Screening compound: ({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine
8019-6037 Screening compound: ({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6037
({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine

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

8019-6037

Molecular Formula

C16H17NO3 (C16 H17 NO3)

Compound Name

({4-[(2H-1,3-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine

IUPAC name

({4-[(2H-13-benzodioxol-5-yl)methoxy]phenyl}methyl)(methyl)amine

SMILES

CNCc(cc1)ccc1OCc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H17NO3/c1-17-9-12-2-5-14(6-3-12)18-10-13-4-7-15-16(8-13)20-11-19-15/h2-8,17H,9-11H2,1H3

InChI Key

XZHGGBAGGGVVQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694295

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.510

Distribution Coefficient, logD

0.435

Water Solubility, LogSw

-2.68

Polar Surface Area

36.556

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-6037 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-6037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6037?
Check Price and Availability of 8019-6037, 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 8019-6037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6037
  • 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 8019-6037 available by request