3793-3500 Screening compound: 2-ethoxyethyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

3793-3500 Screening compound: 2-ethoxyethyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
3793-3500 Screening compound: 2-ethoxyethyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3500
2-ethoxyethyl 2-{[3-(4-chlorophenyl)-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

3793-3500

Molecular Formula

C22H18ClF3O6 (C22 H18 ClF3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOCCOC(COc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C22H18ClF3O6/c1-2-29-9-10-30-18(27)12-31-15-7-8-16-17(11-15)32-21(22(24,25)26)19(20(16)28)13-3-5-14(23)6-4-13/h3-8,11H,2,9-10,12H2,1H3

InChI Key

CHZIHVMXNJXKKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.62

Polar Surface Area

56.207

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3793-3500 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 3793-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3500?
Check Price and Availability of 3793-3500, 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 3793-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3500
  • 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 3793-3500 available by request