6237-0266 Screening compound: 2-({[(1Z)-2-oxocyclohexylidene]methyl}amino)benzoic acid

6237-0266 Screening compound: 2-({[(1Z)-2-oxocyclohexylidene]methyl}amino)benzoic acid
6237-0266 Screening compound: 2-({[(1Z)-2-oxocyclohexylidene]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0266
2-({[(1Z)-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

6237-0266

Molecular Formula

C14H15NO3 (C14 H15 NO3)

Compound Name

2-({[(1Z)-2-oxocyclohexylidene]methyl}amino)benzoic acid

IUPAC name

2-({[(1Z)-2-oxocyclohexylidene]methyl}amino)benzoic acid

SMILES

OC(c(cccc1)c1N/C=C(/CCCC1)\C1=O)=O

InChI

InChI=1S/C14H15NO3/c16-13-8-4-1-5-10(13)9-15-12-7-3-2-6-11(12)14(17)18/h2-3,6-7,9,15H,1,4-5,8H2,(H,17,18)

InChI Key

WHUMOBXATILIPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.28

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

2.858

Distribution Coefficient, logD

-0.669

Water Solubility, LogSw

-3.46

Polar Surface Area

52.718

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6237-0266 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6237-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0266?
Check Price and Availability of 6237-0266, 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 6237-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0266
  • 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 6237-0266 available by request