3453-0735 Screening compound: 2-oxo-4-phenyl-2H-chromen-7-yl furan-2-carboxylate

3453-0735 Screening compound: 2-oxo-4-phenyl-2H-chromen-7-yl furan-2-carboxylate
3453-0735 Screening compound: 2-oxo-4-phenyl-2H-chromen-7-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0735
2-oxo-4-phenyl-2H-chromen-7-yl furan-2-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

3453-0735

Molecular Formula

C20H12O5 (C20 H12 O5)

Compound Name

2-oxo-4-phenyl-2H-chromen-7-yl furan-2-carboxylate

IUPAC name

2-oxo-4-phenyl-2H-chromen-7-yl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc(cc1)cc(O2)c1C(c1ccccc1)=CC2=O

InChI

InChI=1S/C20H12O5/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-18(15)25-19)24-20(22)17-7-4-10-23-17/h1-12H

InChI Key

QMQDJJVJCMQHOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.61

Polar Surface Area

49.330

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3453-0735 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3453-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0735?
Check Price and Availability of 3453-0735, 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 3453-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0735
  • 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 3453-0735 available by request