8019-4651 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-2-yl)methanamine

8019-4651 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-2-yl)methanamine
8019-4651 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-2-yl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4651
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-2-yl)methanamine

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

8019-4651

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-2-yl)methanamine

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-1-(furan-2-yl)methanamine

SMILES

NC(c1ccco1)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C13H13NO3/c14-13(11-2-1-5-15-11)9-3-4-10-12(8-9)17-7-6-16-10/h1-5,8,13H,6-7,14H2/t13-/m1/s1

InChI Key

MDZMAVNONYUYSJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07788567

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.123

Distribution Coefficient, logD

-1.534

Water Solubility, LogSw

-1.08

Polar Surface Area

45.336

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

8019-4651 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4651?
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What is the minimum amount of 8019-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4651
  • 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 8019-4651 available by request