4358-3519 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl furan-2-carboxylate

4358-3519 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl furan-2-carboxylate
4358-3519 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3519
3-(2,5-dimethylphenoxy)-4-oxo-4H-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

4358-3519

Molecular Formula

C22H16O6 (C22 H16 O6)

Compound Name

3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl furan-2-carboxylate

IUPAC name

3-(25-dimethylphenoxy)-4-oxo-4H-chromen-7-yl furan-2-carboxylate

SMILES

Cc1cc(OC2=COc(cc(cc3)OC(c4ccco4)=O)c3C2=O)c(C)cc1

InChI

InChI=1S/C22H16O6/c1-13-5-6-14(2)18(10-13)28-20-12-26-19-11-15(7-8-16(19)21(20)23)27-22(24)17-4-3-9-25-17/h3-12H,1-2H3

InChI Key

YOEDCFZDBYZXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02368107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.50

Polar Surface Area

56.613

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4358-3519 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4358-3519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3519?
Check Price and Availability of 4358-3519, 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 4358-3519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3519
  • 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 4358-3519 available by request