4491-1050 Screening compound: ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate

4491-1050 Screening compound: ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
4491-1050 Screening compound: ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1050
ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate

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

4491-1050

Molecular Formula

C20H15F3O7 (C20 H15 F3 O7)

Compound Name

ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate

IUPAC name

ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate

SMILES

CCOC(Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C20H15F3O7/c1-3-27-19(25)29-13-8-9-14-15(10-13)30-18(20(21,22)23)17(16(14)24)28-12-6-4-11(26-2)5-7-12/h4-10H,3H2,1-2H3

InChI Key

YQKMKYDPBVWQCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.11

Polar Surface Area

63.924

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4491-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1050?
Check Price and Availability of 4491-1050, 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 4491-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1050
  • 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 4491-1050 available by request