4300-0895 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

4300-0895 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate
4300-0895 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0895
3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

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

4300-0895

Molecular Formula

C25H17F3O7 (C25 H17 F3 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C25H17F3O7/c1-31-15-5-3-14(4-6-15)24(30)34-18-11-12-19-20(13-18)35-23(25(26,27)28)22(21(19)29)33-17-9-7-16(32-2)8-10-17/h3-13H,1-2H3

InChI Key

GPRIOHQCADJIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02079775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.4

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

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.19

Polar Surface Area

63.080

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 4300-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0895?
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What is the minimum amount of 4300-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0895
  • 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 4300-0895 available by request