4358-3637 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl 4-fluorobenzoate

4358-3637 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl 4-fluorobenzoate
4358-3637 Screening compound: 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3637
3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl 4-fluorobenzoate

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

4358-3637

Molecular Formula

C24H17FO5 (C24 H17 FO5)

Compound Name

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

IUPAC name

3-(25-dimethylphenoxy)-4-oxo-4H-chromen-7-yl 4-fluorobenzoate

SMILES

Cc1cc(OC2=COc(cc(cc3)OC(c(cc4)ccc4F)=O)c3C2=O)c(C)cc1

InChI

InChI=1S/C24H17FO5/c1-14-3-4-15(2)20(11-14)30-22-13-28-21-12-18(9-10-19(21)23(22)26)29-24(27)16-5-7-17(25)8-6-16/h3-13H,1-2H3

InChI Key

AERMFPLGAFWIFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02368225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.14

Polar Surface Area

48.034

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4358-3637 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4358-3637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3637?
Check Price and Availability of 4358-3637, 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 4358-3637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3637
  • 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 4358-3637 available by request