4300-0549 Screening compound: propan-2-yl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

4300-0549 Screening compound: propan-2-yl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
4300-0549 Screening compound: propan-2-yl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0549
propan-2-yl 2-{[3-(4-methoxyphenoxy)-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

4300-0549

Molecular Formula

C22H19F3O7 (C22 H19 F3 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(COc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C22H19F3O7/c1-12(2)30-18(26)11-29-15-8-9-16-17(10-15)32-21(22(23,24)25)20(19(16)27)31-14-6-4-13(28-3)5-7-14/h4-10,12H,11H2,1-3H3

InChI Key

UGFCTUQLAFRPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.49

Polar Surface Area

62.495

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4300-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0549?
Check Price and Availability of 4300-0549, 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 4300-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0549
  • 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 4300-0549 available by request