4112-3148 Screening compound: methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

4112-3148 Screening compound: methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
4112-3148 Screening compound: methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3148
methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

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

4112-3148

Molecular Formula

C19H15FO6 (C19 H15 FO6)

Compound Name

methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(4-fluorophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CC(Oc(cc(cc1)OCC(OC)=O)c1C1=O)=C1Oc(cc1)ccc1F

InChI

InChI=1S/C19H15FO6/c1-11-19(26-13-5-3-12(20)4-6-13)18(22)15-8-7-14(9-16(15)25-11)24-10-17(21)23-2/h3-9H,10H2,1-2H3

InChI Key

ZJAIVQUIDZVUPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02363328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.27

Polar Surface Area

55.741

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4112-3148 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 4112-3148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3148?
Check Price and Availability of 4112-3148, 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 4112-3148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3148
  • 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 4112-3148 available by request