J032-0022 Screening compound: 4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

J032-0022 Screening compound: 4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
J032-0022 Screening compound: 4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0022
4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

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

J032-0022

Molecular Formula

C19H16FNO3 (C19 H16 FNO3)

Compound Name

4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

IUPAC name

4-[({[5-(4-fluorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid

SMILES

OC(c1ccc(CNCc2ccc(-c(cc3)ccc3F)o2)cc1)=O

InChI

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

InChI Key

LLICPSSHVBHORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434291

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.011

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.17

Polar Surface Area

47.982

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

J032-0022 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with J032-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0022?
Check Price and Availability of J032-0022, 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 J032-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0022
  • 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 J032-0022 available by request