8019-5172 Screening compound: 4-chloro-3-[(4-pyridylmethyl)amino]benzoic acid

8019-5172 Screening compound: 4-chloro-3-[(4-pyridylmethyl)amino]benzoic acid
8019-5172 Screening compound: 4-chloro-3-[(4-pyridylmethyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5172
4-chloro-3-[(4-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

8019-5172

Molecular Formula

C13H11ClN2O2 (C13 H11 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)cc(NCc2ccncc2)c1Cl)=O

InChI

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

InChI Key

VXZYALXKNRPJNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07365006

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

2.413

Distribution Coefficient, logD

-0.327

Water Solubility, LogSw

-3.14

Polar Surface Area

47.612

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8019-5172 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5172?
Check Price and Availability of 8019-5172, 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 8019-5172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5172
  • 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 8019-5172 available by request