8018-8575 Screening compound: 4-chloro-3-[(3-pyridylmethyl)amino]benzoic acid

8018-8575 Screening compound: 4-chloro-3-[(3-pyridylmethyl)amino]benzoic acid
8018-8575 Screening compound: 4-chloro-3-[(3-pyridylmethyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8575
4-chloro-3-[(3-pyridylmethyl)amino]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

8018-8575

Molecular Formula

C13H11ClN2O2 (C13 H11 ClN2 O2)

Compound Name

4-chloro-3-[(3-pyridylmethyl)amino]benzoic acid

IUPAC name

4-chloro-3-{[(pyridin-3-yl)methyl]amino}benzoic acid

SMILES

OC(c(cc1)cc(NCc2cnccc2)c1Cl)=O

InChI

InChI=1S/C13H11ClN2O2/c14-11-4-3-10(13(17)18)6-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H,17,18)

InChI Key

CRPFBRUEMUUONB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07186485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

-0.198

Water Solubility, LogSw

-3.23

Polar Surface Area

47.701

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8018-8575 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-8575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8575?
Check Price and Availability of 8018-8575, 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 8018-8575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8575
  • 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 8018-8575 available by request