6237-0462 Screening compound: 3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}amino)benzoic acid

6237-0462 Screening compound: 3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}amino)benzoic acid
6237-0462 Screening compound: 3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0462
3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}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

6237-0462

Molecular Formula

C15H17NO3 (C15 H17 NO3)

Compound Name

3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}amino)benzoic acid

IUPAC name

3-methyl-4-({[(1E)-2-oxocyclohexylidene]methyl}amino)benzoic acid

SMILES

Cc(cc(cc1)C(O)=O)c1N/C=C(\CCCC1)/C1=O

InChI

InChI=1S/C15H17NO3/c1-10-8-11(15(18)19)6-7-13(10)16-9-12-4-2-3-5-14(12)17/h6-9,16H,2-5H2,1H3,(H,18,19)

InChI Key

XEGGEBDBXPBQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04014348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-3.04

Polar Surface Area

52.718

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6237-0462 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6237-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0462?
Check Price and Availability of 6237-0462, 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 6237-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0462
  • 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 6237-0462 available by request