8019-6085 Screening compound: 2-[({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol

8019-6085 Screening compound: 2-[({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol
8019-6085 Screening compound: 2-[({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6085
2-[({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol

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

8019-6085

Molecular Formula

C18H21NO4 (C18 H21 NO4)

Compound Name

2-[({4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol

IUPAC name

2-[({4-[(23-dihydro-14-benzodioxin-6-yl)methoxy]phenyl}methyl)amino]ethan-1-ol

SMILES

OCCNCc(cc1)ccc1OCc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H21NO4/c20-8-7-19-12-14-1-4-16(5-2-14)23-13-15-3-6-17-18(11-15)22-10-9-21-17/h1-6,11,19-20H,7-10,12-13H2

InChI Key

FIUDDOANINUURS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694287

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.065

Distribution Coefficient, logD

-0.249

Water Solubility, LogSw

-1.62

Polar Surface Area

51.824

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-6085 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-6085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6085?
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What is the minimum amount of 8019-6085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6085
  • 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 8019-6085 available by request