8017-3701 Screening compound: 4-{[(2-fluorobenzyl)amino]methyl}benzoic acid

8017-3701 Screening compound: 4-{[(2-fluorobenzyl)amino]methyl}benzoic acid
8017-3701 Screening compound: 4-{[(2-fluorobenzyl)amino]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3701
4-{[(2-fluorobenzyl)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

8017-3701

Molecular Formula

C15H14FNO2 (C15 H14 FNO2)

Compound Name

4-{[(2-fluorobenzyl)amino]methyl}benzoic acid

IUPAC name

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

SMILES

OC(c1ccc(CNCc(cccc2)c2F)cc1)=O

InChI

InChI=1S/C15H14FNO2/c16-14-4-2-1-3-13(14)10-17-9-11-5-7-12(8-6-11)15(18)19/h1-8,17H,9-10H2,(H,18,19)

InChI Key

JPPGBDKYMYLKFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05881925

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

259.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.15

Polar Surface Area

40.412

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-3701 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-3701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3701?
Check Price and Availability of 8017-3701, 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 8017-3701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3701
  • 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 8017-3701 available by request