4790-1401 Screening compound: 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid

4790-1401 Screening compound: 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
4790-1401 Screening compound: 3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-1401
3-[(2,8-dimethylquinolin-4-yl)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

4790-1401

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid

IUPAC name

3-[(28-dimethylquinolin-4-yl)amino]benzoic acid

SMILES

Cc(cccc12)c1nc(C)cc2Nc1cccc(C(O)=O)c1

InChI

InChI=1S/C18H16N2O2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(10-14)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)

InChI Key

LRNZTGOCCMNPAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052320

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.58

Polar Surface Area

45.769

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4790-1401 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4790-1401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-1401?
Check Price and Availability of 4790-1401, 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 4790-1401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-1401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-1401
  • 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 4790-1401 available by request