J032-0223 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[5-(4-fluorophenyl)furan-2-yl]methyl})amine

J032-0223 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[5-(4-fluorophenyl)furan-2-yl]methyl})amine
J032-0223 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[5-(4-fluorophenyl)furan-2-yl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0223
[(2H-1,3-benzodioxol-5-yl)methyl]({[5-(4-fluorophenyl)furan-2-yl]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

J032-0223

Molecular Formula

C19H16FNO3 (C19 H16 FNO3)

Compound Name

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

IUPAC name

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

SMILES

Fc(cc1)ccc1-c1ccc(CNCc(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C19H16FNO3/c20-15-4-2-14(3-5-15)17-8-6-16(24-17)11-21-10-13-1-7-18-19(9-13)23-12-22-18/h1-9,21H,10-12H2

InChI Key

ACVCPGLQTJGYMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.34

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

4.076

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-4.31

Polar Surface Area

36.690

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J032-0223 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J032-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0223?
Check Price and Availability of J032-0223, 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 J032-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0223
  • 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 J032-0223 available by request