8017-2693 Screening compound: 4-{[(2-chloro-6-fluorobenzyl)amino]methyl}benzoic acid

8017-2693 Screening compound: 4-{[(2-chloro-6-fluorobenzyl)amino]methyl}benzoic acid
8017-2693 Screening compound: 4-{[(2-chloro-6-fluorobenzyl)amino]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2693
4-{[(2-chloro-6-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

8017-2693

Molecular Formula

C15H13ClFNO2 (C15 H13 ClFNO2)

Compound Name

4-{[(2-chloro-6-fluorobenzyl)amino]methyl}benzoic acid

IUPAC name

4-({[(2-chloro-6-fluorophenyl)methyl]amino}methyl)benzoic acid

SMILES

OC(c1ccc(CNCc(c(F)ccc2)c2Cl)cc1)=O

InChI

InChI=1S/C15H13ClFNO2/c16-13-2-1-3-14(17)12(13)9-18-8-10-4-6-11(7-5-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)

InChI Key

YMIUIDNQNQDKES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05881975

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

293.72

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

3.432

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.61

Polar Surface Area

40.412

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-2693 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2693?
Check Price and Availability of 8017-2693, 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 8017-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2693
  • 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 8017-2693 available by request