5976-1770 Screening compound: methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}methyl)benzoate

5976-1770 Screening compound: methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}methyl)benzoate
5976-1770 Screening compound: methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5976-1770
methyl 4-({[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}methyl)benzoate

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

5976-1770

Molecular Formula

C26H19F3O7 (C26 H19 F3 O7)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(COc(cc2)cc(OC(C(F)(F)F)=C3Oc(cc4)ccc4OC)c2C3=O)cc1)=O

InChI

InChI=1S/C26H19F3O7/c1-32-17-7-9-18(10-8-17)35-23-22(30)20-12-11-19(13-21(20)36-24(23)26(27,28)29)34-14-15-3-5-16(6-4-15)25(31)33-2/h3-13H,14H2,1-2H3

InChI Key

JNYXELMBQQRGLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04978500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.43

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

5.754

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.62

Polar Surface Area

63.560

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5976-1770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5976-1770?
Check Price and Availability of 5976-1770, 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 5976-1770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5976-1770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5976-1770
  • 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 5976-1770 available by request