5848-4018 Screening compound: methyl 2-{[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

5848-4018 Screening compound: methyl 2-{[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
5848-4018 Screening compound: methyl 2-{[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-4018
methyl 2-{[3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-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

5848-4018

Molecular Formula

C19H12ClF3O6 (C19 H12 ClF3 O6)

Compound Name

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

IUPAC name

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

SMILES

COC(COc(cc1)cc(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C19H12ClF3O6/c1-26-15(24)9-27-10-6-7-11-14(8-10)29-18(19(21,22)23)17(16(11)25)28-13-5-3-2-4-12(13)20/h2-8H,9H2,1H3

InChI Key

HCWJGOMITXSWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.30

Polar Surface Area

55.779

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5848-4018 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 5848-4018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-4018?
Check Price and Availability of 5848-4018, 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 5848-4018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-4018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-4018
  • 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 5848-4018 available by request