3720-2001 Screening compound: cyclohexyl 2-oxo-2H-chromene-3-carboxylate

3720-2001 Screening compound: cyclohexyl 2-oxo-2H-chromene-3-carboxylate
3720-2001 Screening compound: cyclohexyl 2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3720-2001
cyclohexyl 2-oxo-2H-chromene-3-carboxylate

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

3720-2001

Molecular Formula

C16H16O4 (C16 H16 O4)

Compound Name

cyclohexyl 2-oxo-2H-chromene-3-carboxylate

IUPAC name

cyclohexyl 2-oxo-2H-chromene-3-carboxylate

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)OC1CCCCC1

InChI

InChI=1S/C16H16O4/c17-15(19-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)18/h4-6,9-10,12H,1-3,7-8H2

InChI Key

AMIJLVQOIKMYCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.75

Polar Surface Area

41.244

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3720-2001 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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 3720-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3720-2001?
Check Price and Availability of 3720-2001, 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 3720-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3720-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3720-2001
  • 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 3720-2001 available by request